SCHEMBL4334329

SCHEMBL4334329

CSCCNC(=O)c1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MAPK8 P45983 2/20 0.39
MAPK1 P28482 4/20 0.38
CSNK1D P48730 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL4334999 0.86 TP53 (0.41) NPC1RAB9AMAPK8MAPK1CSNK1D
SCHEMBL4335969 0.84 MAPK1 (0.37) MAPK1SMN1; SMN2MAPK3ALPL
SCHEMBL2862711 0.82 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2870995 0.80 MCHR1 (0.47) NPC1RAB9AMAPK8SMN1; SMN2
SCHEMBL4341443 0.80 TP53 (0.41) NPC1RAB9AMAPK1CSNK1DSMN1; SMN2
SCHEMBL4331515 0.79 TTK (0.49) NPC1RAB9AMAPK1SMN1; SMN2HPGD
SCHEMBL4334934 0.79 HPGD (0.56) NPC1RAB9AMAPK8MAPK1SMN1; SMN2
SCHEMBL4343383 0.79 MAPK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2861275 0.79 CA12 (0.50) MAPK8MAPK1ALPLDHODH
SCHEMBL4327029 0.79 HTT (0.47) MAPK1SMN1; SMN2HPGDL3MBTL1MAPK3

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 6 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
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 NPC1 1164/4885RAB9A 2355/4885HDAC3 51/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NPC1 1164/4885RAB9A 2355/4885HDAC3 51/4885

“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.