SCHEMBL4334435

SCHEMBL4334435

O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPT P10636 6/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ESR2 Q92731 1/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
PLEC Q15149 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 1/20 0.40
ITK Q08881 1/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 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
SCHEMBL13198297 0.84 TOP2A (0.49) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4329234 0.83 MAPT (0.44) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4341422 0.81 KDM4E (0.45) KMT2AKDM4ESMN1; SMN2ITKNPC1
SCHEMBL4337637 0.81 MAPK1 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2868870 0.80 ITK (0.59) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4336091 0.78 HSD17B10 (0.52) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2870047 0.78 MEN1 (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4332111 0.76 SMN1; SMN2 (0.46) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL2872600 0.76 KDM4E (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2864933 0.74 PIP5K1C (0.48) NPC1RAB9A

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 KMT2A 2212/4885MEN1 3782/4885MAPT 2644/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KMT2A 2212/4885MEN1 3782/4885MAPT 2644/4885

“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.