SCHEMBL4354231

SCHEMBL4354231

NNc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ENPP2 Q13822 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NOS1 P29475 3/20 0.44
SYK P43405 1/20 0.43
IKBKB O14920 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
Hydrochloric Acid SCHEMBL27816509 0.98 TOP2A (0.46) TOP2ATOP2BPRSS1PRSS2PRSS3
SCHEMBL6096809 0.83 SIRT1 (0.53) ALDH1A1NOS1LMNACYP1A2CYP3A4
SCHEMBL27506095 0.80 CYP4F2 (0.44) NOS1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22417128 0.80 HTR6 (0.51) ENPP2ALDH1A1NOS1LMNACYP1A2
SCHEMBL10708264 0.80 TOP2A (0.49) TOP2ATOP2BPRSS1PRSS2PRSS3
SCHEMBL3150743 0.78 PDK1 (0.49) TOP2ATOP2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL27795261 0.78 HTR6 (0.50) ENPP2ALDH1A1NOS1LMNACYP1A2
SCHEMBL6526053 0.78 RAPGEF4 (0.53) NOS1MAPK1MAPTSMN1; SMN2
SCHEMBL5432055 0.77 IDO1 (0.60) ALDH1A1PDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL28782144 0.77 CYP3A4 (0.41) NOS1LMNACYP1A2CYP3A4CYP2D6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061457-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 百奥泰生物制药股份有限公司 2023-04-20 WO disclosed
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 EP disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150210722-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-07-30 US disclosed
EP-2890460-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
WO-2014033446-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-03-06 WO disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-4226774-A Carbazole melonates HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4193923-A Tetrahydro 2-carbazolyl methyl malonate derivatives HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed
US-4158007-A Carbazole methyl malonates HOFFMANN-LA ROCHE INC. (US) 1979-06-12 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 (4 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 TOP2A 2687/4885TOP2B 2626/4885PRSS1 2806/4885
US-20150210722-A1 KINASE INHIBITORS SYK, SRC, LYN TOP2A 3192/4885TOP2B 3298/4885PRSS1 673/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 TOP2A 2687/4885TOP2B 2626/4885PRSS1 2806/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK TOP2A 3046/4885TOP2B 3191/4885PRSS1 742/4885

“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.