SCHEMBL4329359

SCHEMBL4329359

O=C(NCCc1cccs1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE10A Q9Y233 1/20 0.39
PSMD14 O00487 1/20 0.39
STAMBP O95630 1/20 0.39
COPS5 Q92905 1/20 0.39
TTK P33981 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPK3 P27361 1/20 0.38
CYP1A2 P05177 1/20 0.38
SCN9A Q15858 1/20 0.37
BRD4 O60885 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL4346817 0.88 TAAR1 (0.49) ROCK2ROCK1TAAR1NPC1RAB9A
SCHEMBL4335936 0.87 BRD4 (0.47) ROCK2ROCK1TAAR1NPC1RAB9A
SCHEMBL4327031 0.85 MTNR1A (0.41) NPC1RAB9AMAPK1HDAC3HDAC4
SCHEMBL4335922 0.84 CYP1A2 (0.41) ROCK2ROCK1TAAR1NPC1RAB9A
SCHEMBL4341026 0.84 TSHR (0.41) ROCK2ROCK1TAAR1NPC1RAB9A
SCHEMBL4341067 0.79 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TTKKDM4E
SCHEMBL2861507 0.79 TTK (0.47) NPC1RAB9ASMN1; SMN2TTKKDM4E
SCHEMBL4342267 0.79 HPGD (0.50) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL2861587 0.78 KDR (0.49) NPC1RAB9A
SCHEMBL2857443 0.77 CA12 (0.46) MAPK1CYP1A2KMT2A

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 ROCK2 805/4885ROCK1 504/4885TAAR1 802/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK2 805/4885ROCK1 504/4885TAAR1 802/4885

“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.