SCHEMBL4335936

SCHEMBL4335936

COc1c(C(=O)NCCc2cccs2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
TAAR1 Q96RJ0 1/20 0.41
PDE10A Q9Y233 1/20 0.40
SCN9A Q15858 1/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
IL1B P01584 1/20 0.39
P2RX7 Q99572 1/20 0.39
TP53 P04637 2/20 0.39
TTK P33981 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL4341067 0.92 RAB9A (0.46) NPC1RAB9ATP53TTKSMN1; SMN2
SCHEMBL4329359 0.87 ROCK2 (0.45) BRD4ROCK2ROCK1TAAR1PDE10A
SCHEMBL4334496 0.87 MEN1 (0.41) NPC1RAB9ATP53MTNR1AMTNR1B
SCHEMBL4341547 0.85 BRD4 (0.46) BRD4ROCK2ROCK1TAAR1PDE10A
SCHEMBL4339889 0.85 BRD4 (0.46) BRD4ROCK2ROCK1TAAR1PDE10A
SCHEMBL13635355 0.84 KDM4E (0.42) PDE10ANPC1RAB9ATP53SMN1; SMN2
SCHEMBL4348178 0.84 LMNA (0.45) TP53MAPTMTNR1AMTNR1BCDK4
SCHEMBL13198250 0.84 HDAC6 (0.50) TP53CDK4CCNA2CCND1CDK2
SCHEMBL4331810 0.83 KDR (0.42) TP53SMN1; SMN2ALDH1A1HPGDCDK4
SCHEMBL4334432 0.80 MEN1 (0.45) ROCK2ROCK1NPC1RAB9ATP53

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 BRD4 95/4885ROCK2 805/4885ROCK1 504/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 BRD4 95/4885ROCK2 805/4885ROCK1 504/4885

“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.