SCHEMBL8810085

SCHEMBL8810085

Cc1cc(C(N)=O)c([N+](=O)[O-])cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
CYP3A4 P08684 3/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
ALDH1A1 P00352 7/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
CCR6 P51684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 3/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
GPR35 Q9HC97 2/20 0.42
PARP1 P09874 1/20 0.42
KMT2A Q03164 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
SCHEMBL7216360 0.91 MAPT (0.57) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL4511665 0.85 KMT2A (0.54) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2840392 0.83 POLB (0.47) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL13483711 0.82 TSHR (0.44) MAPTCYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL8137115 0.82 TSHR (0.53) MAPTALDH1A1HTTCCR6NPSR1
SCHEMBL8142965 0.81 TSHR (0.43) MAPTCYP3A4ALDH1A1HTTCCR6
SCHEMBL6811571 0.80 KMT2A (0.50) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3422244 0.79 CYP3A4 (0.57) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6573505 0.79 KMT2A (0.53) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL15264994 0.78 MAPT (0.60) MAPTCYP3A4BLMPMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
US-8916576-B2 Pharmacokinetically improved compounds SURFACE LOGIX, INC. (US) 2014-12-23 US disclosed
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2013-05-23 US disclosed
US-20120202793-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2012-08-09 US disclosed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 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 (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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MAPT 1198/4885CYP3A4 207/4885BLM 2465/4885
US-20130131047-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MAPT 1198/4885CYP3A4 207/4885BLM 2465/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 MAPT 1198/4885CYP3A4 207/4885BLM 2465/4885
US-20120202793-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA MAPT 1133/4885CYP3A4 1244/4885BLM 3120/4885

“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.