SCHEMBL544856

SCHEMBL544856

COC(=O)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.64
TUBB P07437 1/20 0.64
MET P08581 1/20 0.64
TUBA3C P0DPH7 1/20 0.64
CDK9 P50750 1/20 0.64
TUBA1B P68363 1/20 0.64
TUBA4A P68366 1/20 0.64
TUBB4B P68371 1/20 0.64
TUBB3 Q13509 1/20 0.64
TUBB2A Q13885 1/20 0.64
TUBB8 Q3ZCM7 1/20 0.64
TUBA3E Q6PEY2 1/20 0.64
TUBA1A Q71U36 1/20 0.64
TUBA1C Q9BQE3 1/20 0.64
TUBB6 Q9BUF5 1/20 0.64
TUBB2B Q9BVA1 1/20 0.64
TUBB1 Q9H4B7 1/20 0.64
GHSR Q92847 2/20 0.59
LMNA P02545 2/20 0.57
CSNK1D P48730 5/20 0.57

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
SCHEMBL544638 0.90 GHSR (0.60) TUBB4ATUBBMETTUBA3CCDK9
SCHEMBL544395 0.89 ALDH1A1 (0.62) TUBB4ATUBBMETTUBA3CCDK9
SCHEMBL544192 0.88 CASP3 (0.60) GHSRLMNACSNK1DRAB9ANPC1
SCHEMBL544665 0.86 GHSR (0.58) TUBB4ATUBBMETTUBA3CCDK9
SCHEMBL544342 0.84 RAB9A (0.61) TUBB4ATUBBMETTUBA3CCDK9
SCHEMBL544191 0.83 LCK (0.60) LMNARAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL544868 0.82 PIK3CA (0.57) TUBB4ATUBBMETTUBA3CCDK9
SCHEMBL544152 0.81 GHSR (0.53) METCDK9GHSRCSNK1DRAB9A
SCHEMBL544513 0.81 CASP3 (0.62) LMNARAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL543335 0.80 GHSR (0.50) GHSRLMNACSNK1DRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 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 (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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK TUBB4A 1901/4885TUBB 1359/4885MET 1/4885

“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.