Sugi Predict

Sugi Predict / Compounds / SCHEMBL9900609

SCHEMBL9900609

SCHEMBL9900609

O=C(O)NC1(c2ccc(Br)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 2/20 0.41
▸ RAB9A P51151 9/20 0.38
▸ NPC1 O15118 8/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ FDPS P14324 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL20898790 0.94 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL2714433 0.81 VNN1 (0.33) MAPK1
SCHEMBL5519762 0.79 DGAT1 (0.41) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27797283 0.78 RXRA (0.40) KDM4EMAPK1
SCHEMBL12310257 0.76 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL2713378 0.76 MPO (0.38) ALDH1A1KDM4ERAB9ANPC1LMNA
SCHEMBL16007059 0.76 KDR (0.40) —
SCHEMBL27797860 0.76 JAK2 (0.39) —
SCHEMBL5526276 0.75 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL28789041 0.75 NPC1 (0.36) ALDH1A1KDM4ERAB9ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227785-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 — — US disclosed
EP-3962912-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 — — EP disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 — — WO disclosed
WO-2020221816-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 — — WO disclosed
US-10130630-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-20 — — US disclosed
US-20170340631-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — US disclosed
EP-3240542-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 — — EP disclosed
US-9428528-B2 Phenicol antibacterials ZOETIS SERVICES LLC (US) 2016-08-30 — — US disclosed
US-20160194342-A1 PHENICOL ANTIBACTERIALS ZOETIS SERVICES LLC (US) 2016-07-07 — — US disclosed
WO-2016109215-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
US-9073894-B2 Phenicol antibacterials ZOETIS SERVICES LLC (US) 2015-07-07 — — US disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 — — EP disclosed
EP-2822934-A1 PHENICOL ANTIBACTERIALS Zoetis LLC (US) 2015-01-14 — — EP disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 — — US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 — — EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 — — US disclosed
US-20130237502-A1 PHENICOL ANTIBACTERIALS ZOETIS SERVICES LLC 2013-09-12 — — US disclosed
WO-2013134061-A1 PHENICOL ANTIBACTERIALS ZOETIS LLC (US) 2013-09-12 — — WO disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 — — WO 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 (7 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-20130237502-A1 PHENICOL ANTIBACTERIALS MRPL21, TTL, CTSL ALDH1A1 3505/4885KDM4E 583/4885TSHR 4300/4885
US-10130630-B2 BTK inhibitors BTK, SYK, LYN ALDH1A1 4304/4885KDM4E 986/4885TSHR 2090/4885
US-20220227785-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDKN1A, CDK2 ALDH1A1 4309/4885KDM4E 707/4885TSHR 3791/4885
US-20160194342-A1 PHENICOL ANTIBACTERIALS MRPL21, TTL, CTSL ALDH1A1 3505/4885KDM4E 583/4885TSHR 4300/4885
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 ALDH1A1 1412/4885KDM4E 1389/4885TSHR 330/4885
US-20170340631-A1 BTK INHIBITORS BTK, SYK, LYN ALDH1A1 4304/4885KDM4E 986/4885TSHR 2090/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 ALDH1A1 2634/4885KDM4E 620/4885TSHR 1626/4885

“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.