SCHEMBL5876366

SCHEMBL5876366

O=C(c1n[nH]c2c1C=CC(c1ccccc1)C2)N1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR3 P29371 1/20 0.36
EIF4A3 P38919 1/20 0.36
GFER P55789 1/20 0.36
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL5876815 0.96 HCAR2 (0.41) HCAR2TSHRALDH1A1LMNAHPGD
SCHEMBL5878112 0.81 HCAR2 (0.44) HCAR2SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL5877607 0.81 KDM4E (0.43) HCAR2ALDH1A1LMNAHPGDGAA
SCHEMBL5876727 0.80 HCAR2 (0.43) HCAR2TSHRLMNASMN1; SMN2MAPT
SCHEMBL5876509 0.79 NPC1 (0.53) HCAR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5876349 0.77 HCAR2 (0.39) HCAR2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5876431 0.75 HCAR2 (0.40) HCAR2LMNAHPGDHTTCYP1A2
SCHEMBL5876427 0.75 HCAR2 (0.40) HCAR2LMNAHPGDHTTCYP1A2
SCHEMBL6615884 0.74 HCAR2 (0.41) HCAR2SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5876644 0.73 MAPK10 (0.46) HCAR2ALDH1A1LMNAHPGDGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US disclosed
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 WO 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 (1 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT HCAR2 398/4885TSHR 1704/4885ALDH1A1 166/4885

“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.