SCHEMBL16307579

SCHEMBL16307579

Cc1nc2ccc(NC(C)C)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 4/20 0.46
▸ SYK P43405 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL12109509 0.81 ALDH1A1 (0.58) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL6625448 0.79 ALDH1A1 (0.56) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL5987543 0.74 ALDH1A1 (0.58) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL266609 0.72 ALDH1A1 (0.66) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL29727934 0.72 ALDH1A1 (0.66) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL2457137 0.72 RAB9A (0.67) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL17036636 0.71 ADRA2A (0.54) MAPTKDM4EPRKCI
SCHEMBL16307908 0.71 ALDH1A1 (0.54) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL27074031 0.71 HSP90AA1 (0.64) ALDH1A1HPGDHSP90AA1ESR2TDP1
SCHEMBL18726585 0.71 ALDH1A1 (0.46) ALDH1A1HPGDHSP90AA1ESR2TDP1

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-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 — — US disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 — — US disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 — — US disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 — — 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 (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-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 ALDH1A1 1249/4885HPGD 1236/4885HSP90AA1 3764/4885

“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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