SCHEMBL1347469

SCHEMBL1347469

CC1CC(=O)Nc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
CREBBP Q92793 1/20 0.55
PGR P06401 2/20 0.51
PNMT P11086 4/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
KIF11 P52732 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP2 O95551 1/20 0.47
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
CAPN9 O14815 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL30100720 0.81 PNMT (0.50) PGRPNMTADRA2AADRA2BADRA2C
SCHEMBL6371190 0.81 PNMT (0.50) PGRPNMTADRA2AADRA2BADRA2C
SCHEMBL19954 0.79 PGR (0.71) PGRLMNAGAAKMT2AKIF11
SCHEMBL17479578 0.78 ALDH1A1 (0.51) PGRPNMTADRA2AADRA2BADRA2C
SCHEMBL30100756 0.78 ALDH1A1 (0.51) PGRPNMTADRA2AADRA2BADRA2C
SCHEMBL516986 0.77 KIF11 (0.67) PGRPNMTADRA2ALMNAKMT2A
SCHEMBL6968655 0.76 ALDH1A1 (0.62) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL257552 0.76 ALDH1A1 (0.62) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL1347920 0.76 CREBBP (0.61) BRD4CREBBPKMT2A
SCHEMBL1345138 0.76 BRD4 (0.61) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063040-B2 Triazabenzo[E]azulene derivatives for the treatment of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-22 US disclosed
EP-2111403-B1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2010-11-10 EP disclosed
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 US disclosed
EP-2111403-A1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2009-10-28 EP disclosed
WO-2008052628-A1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-05-08 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-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors TGFBR1, TGFBR2, ACVR1 BRD4 2601/4885CREBBP 2735/4885PGR 439/4885

“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.