SCHEMBL19684557

SCHEMBL19684557

Cc1cccc2c1CNCCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.47
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
PRCP P42785 1/20 0.44
HTR2C P28335 5/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL19684566 0.95 PNMT (0.50) PNMTBCL2L1BADPRCPHTR2C
Hydrochloric Acid SCHEMBL5795490 0.93 PNMT (0.49) PNMTBCL2L1BADPRCPHTR2C
SCHEMBL31327524 0.87 PNMT (0.61) PNMTPRCPHTR2CCD44
SCHEMBL11947231 0.87 PNMT (0.61) PNMTPRCPHTR2CCD44
SCHEMBL598625 0.80 BCL2L1 (0.58) BCL2L1BADMEN1KMT2A
SCHEMBL30717272 0.80 BCL2L1 (0.58) BCL2L1BADMEN1KMT2A
SCHEMBL19711056 0.79 PNMT (0.47) PNMTBCL2L1BADPRCPHTR2C
SCHEMBL5598514 0.78 BCL2L1 (0.56) BCL2L1BADMEN1KMT2A
SCHEMBL31011900 0.78 BCL2L1 (0.56) BCL2L1BADMEN1KMT2A
SCHEMBL19684568 0.78 PNMT (0.44) PNMTBCL2L1BADPRCPHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PNMT 2003/4885BCL2L1 1427/4885BAD 913/4885

“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.