SCHEMBL6201451

SCHEMBL6201451

O=c1ccn2n1Cc1ccccc1C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
KMT2A Q03164 3/20 0.38
NOTUM Q6P988 2/20 0.38
CYP1A2 P05177 1/20 0.36
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
TIPARP Q7Z3E1 1/20 0.34
MEN1 O00255 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DAPK3 O43293 1/20 0.33
RET P07949 1/20 0.33
PRKACA P17612 1/20 0.33
GRK5 P34947 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL4884063 0.63 MAOA (0.44) RXFP1KMT2ANOTUMMAOAMAOB
SCHEMBL3599815 0.63 NOTUM (0.48) RXFP1KMT2ANOTUMCYP1A2MAOA
SCHEMBL2061217 0.60 MAOA (0.52) RXFP1NOTUMMAOAMAOBBRD4
SCHEMBL1301328 0.59 NOTUM (0.44) RXFP1KMT2ANOTUMCYP1A2MAOA
SCHEMBL2577997 0.58 SMN1; SMN2 (0.32) KMT2AMAOAMEN1NPC1RAB9A
SCHEMBL1301327 0.57 NOTUM (0.43) RXFP1KMT2ANOTUMCYP1A2MAOA
SCHEMBL28415182 0.57 NOTUM (0.43) RXFP1KMT2ANOTUMCYP1A2MAOA
SCHEMBL19902080 0.57 NOTUM (0.43) RXFP1KMT2ANOTUMCYP1A2MAOA
SCHEMBL16938579 0.57 MAOA (0.50) RXFP1KMT2ANOTUMMAOAMAOB
SCHEMBL14573056 0.57 MAOA (0.56) RXFP1KMT2ANOTUMCYP1A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427727-B1 COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2005-01-26 EP disclosed
US-6821971-B2 FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA THE PROCTER & GAMBLE COMPANY 2004-11-23 US disclosed
US-20030105084-A1 Compound which inhibit the release of inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2003-06-05 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 (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-20030105084-A1 Compound which inhibit the release of inflammatory cytokines IL1B, IL1A, TNF RXFP1 421/4885KMT2A 3906/4885NOTUM 1389/4885

“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.