SCHEMBL10046378

SCHEMBL10046378

Bc1c(OC)ccc2c(S)cc(-c3cnc(-c4ccccc4)s3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.39
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 8/20 0.38
RAB9A P51151 7/20 0.38
HPGD P15428 6/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
GLA P06280 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 4/20 0.36
NPC1 O15118 7/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35

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
SCHEMBL9892707 0.88 CYP19A1 (0.39) TDO2IDO1ALDH1A1KDM4ERAB9A
SCHEMBL10046382 0.78 PDE10A (0.37) TDO2IDO1KDM4ERAB9AMAPT
SCHEMBL10046377 0.77 HPGDS (0.48) TDO2IDO1PDE10AHPGDS
SCHEMBL10046380 0.71 NPC1 (0.34) KDM4ERAB9AMAPTNPC1
SCHEMBL7906969 0.71 KDM4E (0.42) TDO2IDO1ALDH1A1KDM4ERAB9A
SCHEMBL10046381 0.70 KDR (0.34) KDM4ERAB9AHPGDMAPTSMN1; SMN2
SCHEMBL10046376 0.70 PDGFRB (0.38) ALDH1A1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL9892705 0.65 CYP19A1 (0.42) TDO2IDO1ALDH1A1KDM4ERAB9A
SCHEMBL28743481 0.62 KDM4E (0.56) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL10046118 0.62 HSP90AA1 (0.48) ALDH1A1KDM4EHPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165534-A1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES HCCS, CYP3A7, ABL1 TDO2 2201/4885IDO1 987/4885ALDH1A1 385/4885

“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.