SCHEMBL2731040

SCHEMBL2731040

Cc1nc(-c2cc3cc(F)ccc3[nH]2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.48
METAP2 P50579 1/20 0.47
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDPK1 O15530 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2730463 0.80 AURKA (0.49) MAPTL3MBTL1HSD17B10KDM4EALDH1A1
SCHEMBL2730780 0.77 CYP1A1 (0.48) CYP1A1MAPT
SCHEMBL18817913 0.76 HPN (0.58) CYP1A1METAP2MAPTALOX5L3MBTL1
SCHEMBL10989963 0.75 CYP1A1 (0.47) CYP1A1MAPTATP4AATP4BHSD17B10
SCHEMBL2731293 0.74 ALOX5 (0.44) METAP2ALOX5L3MBTL1TRPM8KDM4E
SCHEMBL2729892 0.74 ALOX5 (0.44) METAP2ALOX5L3MBTL1TRPM8KDM4E
SCHEMBL16856594 0.73 L3MBTL1 (0.47) MAPTL3MBTL1TRPM8
SCHEMBL2730754 0.72 ALOX5 (0.42) METAP2MAPTALOX5L3MBTL1TRPM8
SCHEMBL15875947 0.72 S1PR1 (0.43)
SCHEMBL10984243 0.71 CYP1A1 (0.43) CYP1A1MAPTCNR2ATP4AATP4B

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
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP disclosed
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP disclosed
US-20130217702-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. 2013-08-22 US disclosed
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 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-20130217702-A1 INDOLE DERIVATIVES BDKRB1, BDKRB2, ARRB1 CYP1A1 289/4885METAP2 1447/4885MAPT 2040/4885

“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.