SCHEMBL4332230

SCHEMBL4332230

COc1cc(C(=O)NCCSC)cc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
NTRK1 P04629 1/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 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
SCHEMBL4333979 0.89 MAPT (0.43) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL4334999 0.89 TP53 (0.41) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL2870015 0.82 DYRK1A (0.46)
SCHEMBL4334956 0.81 HPGD (0.53) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4341438 0.81 TTK (0.51) MAPTNTRK1ROCK2ROCK1TP53
SCHEMBL2861181 0.81 MAP2K4 (0.51) NTRK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4348128 0.80 ALDH1A1 (0.45) MAPTNTRK1ROCK2ROCK1LMNA
SCHEMBL4339186 0.79 NTRK1 (0.41) NTRK1ROCK2ROCK1TUBB4ATUBB
SCHEMBL4333958 0.78 HPGD (0.56) ROCK2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4332464 0.78 CSNK1D (0.41) MAPTNTRK1ROCK2ROCK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPT 2644/4885NTRK1 1241/4885ROCK2 805/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPT 2644/4885NTRK1 1241/4885ROCK2 805/4885

“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.