SCHEMBL5649740

SCHEMBL5649740

CCOc1cc(C#N)ccc1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.57
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B1 P15121 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A9 P48067 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL1546549 0.86 TRPV4 (0.55) TRPV4KDM4ERXFP1CYP3A4TSHR
SCHEMBL1546502 0.84 TDP1 (0.58) TRPV4KDM4ERXFP1CYP3A4TSHR
SCHEMBL5653240 0.83 AR (0.45) TRPV4GAAMAPTALDH1A1L3MBTL1
SCHEMBL27923255 0.79 KDM4E (0.68) KDM4ECYP3A4TSHRMAPTALDH1A1
SCHEMBL29740345 0.78 CYP2A6 (0.41) TRPV4MAPTALDH1A1PDCD1CD274
SCHEMBL3993311 0.78 KDM4E (0.49) KDM4ECYP3A4TSHRGAAMAPT
SCHEMBL1169569 0.78 CYP2A6 (0.41) TRPV4MAPTALDH1A1PDCD1CD274
SCHEMBL943785 0.77 TSHR (0.51) TRPV4RXFP1TSHRGAALMNA
SCHEMBL1402437 0.77 TRPV4 (0.61) TRPV4KDM4EGAAMAPTALDH1A1
SCHEMBL7345060 0.76 KDM4E (0.51) KDM4ERXFP1CYP3A4TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 US disclosed
EP-1187813-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2001000587-A1 AZOLYLBENZAMIDES AND ANALOGUES AND THEIR USE FOR TREATING OSTEOPOROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2001-01-04 WO 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 TRPV4 2479/4885KDM4E 1605/4885RXFP1 73/4885

“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.