SCHEMBL5961929

SCHEMBL5961929

C=C(C(=[N+]=[N-])C(=O)OC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SRD5A2 P31213 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ CXCL12 P48061 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL29782139 0.79 HPGD (0.48) HPGDTSHRMAPTNPC1RAB9A
SCHEMBL2651614 0.79 HPGD (0.48) HPGDTSHRMAPTNPC1RAB9A
SCHEMBL2647013 0.73 HPGD (0.54) HPGDTSHRMAPTNPC1RAB9A
SCHEMBL31620801 0.73 MAPT (0.47) HPGDMAPTNPC1RAB9AMEN1
SCHEMBL19309852 0.70 HPGD (0.51) HPGDTSHRMAPTNPC1RAB9A
SCHEMBL4000183 0.70 TSHR (0.48) HPGDTSHRMAPTKDM4EHTT
SCHEMBL25107589 0.70 MAPT (0.50) HPGDTSHRMAPTNPC1RAB9A
SCHEMBL28731822 0.70 KDM4E (0.49) HPGDMAPTNPC1RAB9AMEN1
SCHEMBL1299471 0.70 KCNQ3 (0.44) HPGDMAPTRAB9AMEN1KMT2A
SCHEMBL7828899 0.69 TSHR (0.63) HPGDTSHRMAPTNPC1RAB9A

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-7109343-B2 Metal catalysts and methods for making and using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-19 — — US disclosed
US-20050010049-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2005-01-13 — — US disclosed
US-6762304-B2 BIS-TRANSITION METAL CATALYSTS HAVING D2 SYMMETRY RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2004-07-13 — — US disclosed
EP-1173278-B1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME RES FOUNDATION OFSTATE UNIVERS (US) 2004-06-30 — — EP disclosed
US-20020183535-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2002-12-05 — — US disclosed
US-6410746-B1 ORGANOMETALLIC COMPOUND CONTAINING TRANSITION METAL RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2002-06-25 — — 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-20020183535-A1 Metal catalysts and methods for making and using same COMT, SLC6A3, SLC6A2 HPGD 3992/4885TSHR 101/4885MAPT 2849/4885
US-20050010049-A1 Metal catalysts and methods for making and using same SLC6A3, COMT, DRD4 HPGD 3866/4885TSHR 112/4885MAPT 1443/4885

“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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