SCHEMBL4333025

SCHEMBL4333025

COc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
PKM P14618 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
KDR P35968 2/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
SCN9A Q15858 1/20 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
SCHEMBL4341196 0.87 MEN1 (0.49) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL4327612 0.86 JAK2 (0.40) ALDH1A1PKMMEN1KMT2AHPGD
SCHEMBL4341067 0.84 RAB9A (0.46) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL4334972 0.84 JAK2 (0.38) ALDH1A1PKMMEN1KMT2AHPGD
SCHEMBL4334635 0.83 EGLN1 (0.39) SMN1; SMN2MAPTKDRCDK4CCNA2
SCHEMBL4334432 0.83 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL2856935 0.83 SMN1; SMN2 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL2864362 0.82 GSK3B (0.44) KDRCDK4CCNA2CCND1CDK2
SCHEMBL13635804 0.82 KDR (0.37) SMN1; SMN2MAPTKDRCDK4CCNA2
SCHEMBL13635355 0.81 KDM4E (0.42) ALDH1A1KMT2AHPGDTSHRSMN1; SMN2

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 ALDH1A1 1588/4885PKM 3344/4885MEN1 3782/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ALDH1A1 1588/4885PKM 3344/4885MEN1 3782/4885

“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.