SCHEMBL642823

SCHEMBL642823

N=C(NO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
NPSR1 Q6W5P4 1/20 0.49
P2RX1 P51575 1/20 0.49
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
SRD5A2 P31213 1/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KCNK3 O14649 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4396979 0.84 CES2 (0.55) CES2NPSR1P2RX1LMNASRD5A2
SCHEMBL8048477 0.84 CES2 (0.55) CES2NPSR1P2RX1LMNASRD5A2
Hydrochloric Acid SCHEMBL4400848 0.82 CES2 (0.53) CES2NPSR1P2RX1LMNASRD5A2
SCHEMBL16043418 0.81 HDAC8 (0.51) LMNAMEN1KMT2A
SCHEMBL11553879 0.81 CES2 (0.51) CES2NPSR1P2RX1LMNASRD5A2
SCHEMBL2430500 0.80 CES2 (0.50) CES2P2RX1MAPTGAA
SCHEMBL15630195 0.79 CES2 (0.62) CES2NPSR1P2RX1LMNASRD5A2
SCHEMBL14880151 0.78 CES2 (0.67) CES2NPSR1P2RX1LMNAMEN1
SCHEMBL524006 0.77 CES2 (0.60) CES2SRD5A2PTGS1
SCHEMBL3555007 0.77 CES2 (0.60) CES2NPSR1P2RX1LMNASRD5A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
CN-118265453-A Protein aggregation inhibiting compounds for plant disease control 马克斯·普朗克科学促进学会 2024-06-28 CN disclosed
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
US-20080318955-A1 Novel Thiophene Derivatives as Sphingosine-1-Phosphate-1 Receptor Agonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-12-25 US disclosed
EP-1863474-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
CN-101146529-A Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2008-03-19 CN disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1863474-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO disclosed
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10035790-B2 RORγ modulators RORB, RORA, RORC CES2 4735/4885NPSR1 88/4885P2RX1 512/4885
US-20040053955-A1 Acridone inhibitors of IMPDH enzyme IMPDH2, IMPDH1, XDH CES2 415/4885NPSR1 2775/4885P2RX1 1816/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 CES2 3223/4885NPSR1 1165/4885P2RX1 2183/4885
US-20080318955-A1 Novel Thiophene Derivatives as Sphingosine-1-Phosphate-1 Receptor Agonists S1PR1, S1PR2, S1PR3 CES2 3730/4885NPSR1 218/4885P2RX1 192/4885
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 CES2 961/4885NPSR1 57/4885P2RX1 183/4885
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP CES2 4767/4885NPSR1 3206/4885P2RX1 4387/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 CES2 4853/4885NPSR1 1056/4885P2RX1 4122/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 CES2 1241/4885NPSR1 2433/4885P2RX1 622/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.