SCHEMBL4336091

SCHEMBL4336091

O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.52
ALOX15 P16050 2/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 7/20 0.45
POLB P06746 6/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 4/20 0.43
PKM P14618 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 3/20 0.43
ESR1 P03372 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL4343252 0.87 HSD17B10 (0.49) HSD17B10ALOX15USP2HPGDPOLB
SCHEMBL4332228 0.84 HSD17B10 (0.46) HSD17B10ALOX15USP2HPGDPOLB
SCHEMBL4342267 0.84 HPGD (0.50) HSD17B10HPGDPOLBMAPTSMN1; SMN2
SCHEMBL4331298 0.83 KDM4E (0.42) HSD17B10HPGDPOLBMAPTSMN1; SMN2
SCHEMBL4343390 0.82 HPGD (0.45) HSD17B10HPGDPOLBMAPTSMN1; SMN2
SCHEMBL2872600 0.80 KDM4E (0.45) POLBMAPTALDH1A1KDM4ETDP1
SCHEMBL4341026 0.79 TSHR (0.41) HSD17B10HPGDPOLBMAPTSMN1; SMN2
SCHEMBL2864933 0.79 PIP5K1C (0.48) NPC1RAB9AMAPK8
SCHEMBL4334435 0.78 KMT2A (0.47) HSD17B10HPGDPOLBMAPTSMN1; SMN2
SCHEMBL13198263 0.77 MKNK1 (0.48) POLBMAPTALDH1A1MEN1KMT2A

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 HSD17B10 1699/4885ALOX15 3445/4885USP2 3607/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 HSD17B10 1699/4885ALOX15 3445/4885USP2 3607/4885

“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.