SCHEMBL1901119

SCHEMBL1901119

Clc1cc(-c2ccccc2)cc(OCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.48
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ NUDT1 P36639 1/20 0.44
▸ PRMT5 O14744 2/20 0.44
▸ ALOX5 P09917 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ LTB4R Q15722 4/20 0.40
▸ SQOR Q9Y6N5 1/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ PTPN1 P18031 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
SCHEMBL31287796 0.82 ALOX5 (0.50) GRM5NUDT1PRMT5ALOX5
SCHEMBL14744985 0.82 ALOX5 (0.50) GRM5NUDT1PRMT5ALOX5
SCHEMBL1899392 0.81 NUDT1 (0.51) GABRG2GABRB3GABRA5GABRA3NUDT1
SCHEMBL1901652 0.81 GRM5 (0.48) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL8384805 0.79 PIN1 (0.47) GRM5NUDT1PRMT5ALOX5HRH4
SCHEMBL8773184 0.78 MAOB (0.51) GRM5NUDT1PRMT5ALOX5HRH4
SCHEMBL31287990 0.78 MAOB (0.51) GRM5NUDT1PRMT5ALOX5HRH4
SCHEMBL603696 0.77 NUDT1 (0.48) GRM5NUDT1PRMT5ALOX5MCL1
SCHEMBL3930094 0.77 NUDT1 (0.62) GRM5NUDT1PRMT5HRH4
SCHEMBL24461268 0.77 GRM5 (0.45) GRM5GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 — — US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 — — EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 — — 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 GRM5 1233/4885GABRG2 3154/4885GABRB3 2786/4885

“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.

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