SCHEMBL15380747

SCHEMBL15380747

NC(=O)C1(c2ccccc2)C=CC=N1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL1330599 0.85 AKR1C1 (0.37) TDP1HSD11B1PKMKMT2AAKR1C1
SCHEMBL27566375 0.71 TDP1 (0.33) TDP1POLBCYP3A4PARP1MAPT
SCHEMBL28206407 0.71 HSD11B1 (0.33) TDP1POLBCYP3A4PARP1MAPT
SCHEMBL9877949 0.69 PNMT (0.35)
SCHEMBL28809905 0.68 TDP1 (0.31) TDP1POLBCYP3A4PARP1MAPT
SCHEMBL16433076 0.68 LMNA (0.38) L3MBTL1HSD11B1PKMKMT2AALDH1A1
SCHEMBL27941573 0.68 TDP1 (0.33) TDP1POLBCYP3A4PARP1MAPT
SCHEMBL28039715 0.67 OPRM1 (0.31) KMT2A
SCHEMBL27799525 0.67 MEN1 (0.38) TDP1MAPTKMT2A
SCHEMBL27809189 0.66 ALDH1A1 (0.31) L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205249-A1 NICOTINE AND NICOTINIC AGONIST COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF PANCREATITIS AND METHODS OF USING SAME DUKE UNIVERSITY (US) 2023-10-26 WO disclosed
US-20150133411-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 US disclosed
EP-2847164-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF The University of Utah Research Foundation (US) 2015-03-18 EP disclosed
WO-2013169396-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF THE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-11-14 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 (1 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-20150133411-A1 COMPOUNDS WITH TRPV4 ACTIVITY, COMPOSITIONS AND ASSOCIATED METHODS THEREOF TRPV4, TRPV3, TRPV5 TDP1 1803/4885POLB 4456/4885CYP3A4 1049/4885

“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.