SCHEMBL2862809

SCHEMBL2862809

O=C(NCCCN1CCCC1=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.48
NAMPT P43490 1/20 0.47
MAPK1 P28482 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK10 P53779 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4333969 0.87 SMN1; SMN2 (0.51) RAB9ARXFP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL4332582 0.82 L3MBTL1 (0.51) RAB9ARXFP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6678602 0.78 FLT3 (0.59) ALDH1A1SMN1; SMN2TSHRLMNAUSP2
SCHEMBL2865232 0.76 MAPK1 (0.53) RAB9ASMN1; SMN2LMNANAMPTMAPK1
SCHEMBL2860415 0.75 MAPK10 (0.54) MAPK1MAPK10
SCHEMBL30068415 0.73 HTR1A (0.59) RAB9ARXFP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10195551 0.72 NAMPT (0.48) RAB9ARXFP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL6444431 0.72 RCE1 (0.51) ALDH1A1SMN1; SMN2TSHRLMNAHPGD
SCHEMBL5380014 0.72 MAPK10 (0.56) MAPK1MAPK10
SCHEMBL5377524 0.71 MAPK10 (0.53) KDM4EMAPK1MAPK10HTT

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 12 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-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
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-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

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 RAB9A 2355/4885RXFP1 2031/4885ALDH1A1 1588/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 RAB9A 2697/4885RXFP1 2739/4885ALDH1A1 1744/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 RAB9A 2355/4885RXFP1 2031/4885ALDH1A1 1588/4885

“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.