SCHEMBL4505367

SCHEMBL4505367

c1ccc2c(c1)[nH]c1cc3ccncc3nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GABRA1 P14867 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
ACHE P22303 1/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
IKBKB O14920 1/20 0.53
AURKA O14965 1/20 0.53
CHUK O15111 1/20 0.53
PIM1 P11309 1/20 0.53
TOP1 P11387 1/20 0.53
IDO1 P14902 1/20 0.53

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
SCHEMBL26976592 0.87 CHUK (0.47) TDO2SMN1; SMN2GABRA1GABRG2GABRB3
Quindoline SCHEMBL191243 0.82 NPC1 (0.58) SMN1; SMN2GABRA1GABRG2GABRB3GABRA5
Quindoline SCHEMBL30805772 0.82 NPC1 (0.58) SMN1; SMN2GABRA1GABRG2GABRB3GABRA5
Quindoline SCHEMBL8481282 0.80 NPC1 (0.56) SMN1; SMN2GABRA1GABRG2GABRB3GABRA5
Quindoline SCHEMBL8478837 0.80 NPC1 (0.56) SMN1; SMN2GABRA1GABRG2GABRB3GABRA5
SCHEMBL17274958 0.78 SMN1; SMN2 (0.53) TDO2SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL30704451 0.75 SMN1; SMN2 (0.73) TDO2SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL30646327 0.75 SMN1; SMN2 (0.73) TDO2SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL824397 0.75 SMN1; SMN2 (0.73) TDO2SMN1; SMN2GABRA1GABRG2GABRB3
SCHEMBL824357 0.75 SMN1; SMN2 (0.73) TDO2SMN1; SMN2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 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 (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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A TDO2 3829/4885SMN1; SMN2 2369/4885GABRA1 2795/4885

“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.