SCHEMBL315308

SCHEMBL315308

O=C(Cn1nccn1)NNC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
KDM4E B2RXH2 4/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 10/20 0.57
MAPT P10636 3/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 5/20 0.55
GAA P10253 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
MGAM O43451 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
NOX1 Q9Y5S8 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.47

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
SCHEMBL13292513 0.86 MAPT (0.55) PKMALDH1A1MAPTKMT2AMEN1
SCHEMBL4877622 0.84 SMN1; SMN2 (0.51) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL4886721 0.78 SMN1; SMN2 (0.44) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL21972579 0.73 ALDH1A1 (0.60) PKMKDM4EMAPK1ALDH1A1MAPT
SCHEMBL30502466 0.72 ALDH1A1 (1.00) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL28633748 0.71 NOX1 (0.66) PKMKDM4EALDH1A1MAPTKMT2A
SCHEMBL2793584 0.71 ALDH1A1 (0.69) PKMKDM4EMAPK1ALDH1A1MAPT
SCHEMBL31094016 0.71 KDM4E (0.60) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL11922436 0.70 CA1 (0.74) KDM4EMAPK1ALDH1A1MAPTKMT2A
SCHEMBL5445907 0.68 MAPT (0.75) KDM4EALDH1A1MAPTKMT2AGAA

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 PKM 4533/4885KDM4E 3377/4885MAPK1 3698/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 PKM 1270/4885KDM4E 954/4885MAPK1 3198/4885

“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.