SCHEMBL7909196

SCHEMBL7909196

O=C1C2CCC1Cc1c(cccc1[N+](=O)[O-])C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
GPR35 Q9HC97 2/20 0.38
S100A4 P26447 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL14458459 0.84 CHRNB2 (0.39) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL5621945 0.84 CHRNB2 (0.39) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL5622654 0.80 CHRNB2 (0.40) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL5621125 0.80 CHRNB2 (0.40) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL14474348 0.79 CHRNB2 (0.39) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL11444096 0.76 TDP1 (0.42) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL5916971 0.76 GPR35 (0.46) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL2246781 0.75 GPR35 (0.42) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL8611307 0.74 CHRNB2 (0.39) ACHECHRNB2CHRNA4TDP1GPR35
SCHEMBL12355698 0.73 CHRNB2 (0.40) ACHECHRNB2CHRNA4TDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN KETTERING INST CANCER (US) 2015-10-01 US disclosed
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN KETTERING INST CANCER (US) 2015-10-01 US disclosed
US-9056857-B2 Methods for treating or preventing cancer and neurodegenerative diseases SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-06-16 US disclosed
US-9056857-B2 Methods for treating or preventing cancer and neurodegenerative diseases SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-06-16 US disclosed
US-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-20 US disclosed
US-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-20 US disclosed
WO-2010075255-A2 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-07-01 WO disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 US disclosed
US-20070173525-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2007-07-26 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 (3 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-20070173525-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ACHE 3868/4885CHRNB2 2871/4885CHRNA4 2174/4885
US-20130158017-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN2 ACHE 38/4885CHRNB2 163/4885CHRNA4 339/4885
US-20150272962-A1 METHODS FOR TREATING OR PREVENTING CANCER AND NEURODEGENERATIVE DISEASES SNCA, HTT, PSEN2 ACHE 38/4885CHRNB2 163/4885CHRNA4 339/4885

“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.