SCHEMBL6953152

SCHEMBL6953152

Nc1cccc(-c2cnsn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
MAP4K4 O95819 6/20 0.47
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAOA P21397 1/20 0.45
GLA P06280 1/20 0.44
NFKB1 P19838 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
SCHEMBL2728342 0.79 IDO1 (0.51) MEN1KDM4EALDH1A1MAPTKMT2A
SCHEMBL2727083 0.78 IDO1 (0.50) METAP2NPC1RAB9ATSHRMEN1
SCHEMBL9324607 0.76 METAP2 (0.44) METAP2NPC1RAB9AMEN1KDM4E
SCHEMBL4559345 0.76 KMT2A (0.42) METAP2NPC1RAB9AMEN1KDM4E
SCHEMBL24270330 0.74 NPC1 (0.65) METAP2NPC1RAB9ARECQLTSHR
SCHEMBL30165348 0.74 NPC1 (0.65) METAP2NPC1RAB9ARECQLTSHR
SCHEMBL6164219 0.74 CDK8 (0.44) NPC1MEN1KDM4EALDH1A1KMT2A
SCHEMBL5727823 0.74 DYRK1A (0.49) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL6787055 0.74 IDO1 (0.36)
SCHEMBL19900526 0.73

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-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 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 (2 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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 METAP2 3877/4885NPC1 3852/4885RAB9A 4046/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 METAP2 3920/4885NPC1 4011/4885RAB9A 3957/4885

“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.