SCHEMBL7628650

SCHEMBL7628650

COC(=O)c1cc(-n2cnnc2S(C)(=O)=O)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL7621451 0.90 TUBB4A (0.40) FGFR1SRCTUBB4ATUBBTUBA3C
SCHEMBL7622825 0.83 ALDH1A1 (0.43) FGFR1SRCTUBB4ATUBBTUBA3C
SCHEMBL7490694 0.79 LMNA (0.57) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL6998977 0.75 HSD11B1 (0.39) FGFR1SRCKMT2AMEN1ALDH1A1
SCHEMBL25835986 0.72 PTGS2 (0.43) LMNA
SCHEMBL6424185 0.72 TP53 (0.61) KMT2AMEN1ALDH1A1TSHR
SCHEMBL7622774 0.72 ALDH1A1 (0.54) FGFR1SRCKMT2AMEN1ALDH1A1
SCHEMBL7621204 0.72 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3220624 0.71 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL27480025 0.69 HTT (0.62) KMT2AMEN1ALDH1A1LMNAKDM4E

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-6423704-B2 CROHN'S DISEAS, ANTIULCER AGENTS, ASTHMA, EMESIS AVENTIS PHARMACEUTICALS INC. 2002-07-23 US disclosed
US-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases AVENTIS PHARMACEUTICALS INC. 2001-10-25 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 (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-20010034343-A1 Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases HRH4, HRH2, HRH1 FGFR1 408/4885SRC 4119/4885TUBB4A 2535/4885

“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.