SCHEMBL315973

SCHEMBL315973

O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.97
KMT2A Q03164 1/20 0.97
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
TSHR P16473 1/20 0.49

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
SCHEMBL1980423 0.87 MEN1 (0.75) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL13479650 0.86 MEN1 (0.73) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL10666648 0.81 MEN1 (0.70) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL2372693 0.78 ACHE (0.70) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL14351628 0.76 ACHE (0.68) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL2919992 0.75 MEN1 (0.58) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL67864 0.75 MAPK1 (0.60) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL2949639 0.75 TSHR (0.60) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL27273104 0.75 MAPK1 (0.60) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL68713 0.74 TSHR (0.58) MEN1KMT2ALMNAPOLBALDH1A1

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 7 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-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
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP 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 MEN1 2639/4885KMT2A 3968/4885LMNA 2443/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MEN1 1081/4885KMT2A 1134/4885LMNA 1738/4885

“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.