SCHEMBL316689

SCHEMBL316689

CCOc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 6/20 0.50
ALDH1A1 P00352 3/20 0.50
S1PR4 O95977 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PSMD14 O00487 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
PDE7A Q13946 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
VCAM1 P19320 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
SCHEMBL3128373 0.88 MAPK1 (0.47) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL10881418 0.84 TDP1 (0.61) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL31693741 0.81 KDM4E (0.50) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL8264268 0.81 S1PR4 (0.51) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL3200247 0.81 MAPK1 (0.47) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL11058768 0.81 MAPT (0.58) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL5068190 0.81 MAPT (0.58) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL102625 0.81 TSHR (0.58) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL5098363 0.81 S1PR4 (0.50) MAPTMAPK1TSHRLMNAALDH1A1
SCHEMBL310522 0.80 MAPT (0.57) MAPTMAPK1LMNAALDH1A1KMT2A

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 8 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
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 MAPT 4829/4885MAPK1 3698/4885TSHR 577/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4518/4885MAPK1 3198/4885TSHR 1559/4885

“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.