SCHEMBL2864561

SCHEMBL2864561

COc1c(Br)ccc(F)c1C(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.56
ABCG2 Q9UNQ0 4/20 0.50
ABCB1 P08183 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ACHE P22303 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40

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
SCHEMBL2860696 0.82 NPC1 (0.46) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1
SCHEMBL7469126 0.78 ABCG2 (0.52) ABCG2ABCB1CYP1A2CYP2D6HPGD
SCHEMBL2855688 0.78 FLT3 (0.51) CYP1A2HPGDALDH1A1NPC1RAB9A
SCHEMBL2858339 0.78 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6557518 0.74 RAB9A (0.65) HSD17B14CYP1A2HPGDALDH1A1NPC1
SCHEMBL14720094 0.74 HSD17B10 (0.44) CYP1A2ALDH1A1RAB9APTPN1MEN1
SCHEMBL941698 0.72 CES2 (0.74) HSD17B14HPGDALDH1A1NPC1RAB9A
SCHEMBL29613672 0.72 CES2 (0.74) HSD17B14HPGDALDH1A1NPC1RAB9A
SCHEMBL30250451 0.72 CES2 (0.74) HSD17B14HPGDALDH1A1NPC1RAB9A
SCHEMBL7928540 0.72 CYP1A2 (0.52) CYP1A2CYP2D6HPGDCYP2C19ALDH1A1

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 8 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
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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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 HSD17B14 1381/4885ABCG2 471/4885ABCB1 902/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 HSD17B14 816/4885ABCG2 740/4885ABCB1 1257/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 HSD17B14 1381/4885ABCG2 471/4885ABCB1 902/4885

“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.