SCHEMBL9681036

SCHEMBL9681036

SCSCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CALM1 P0DP23 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL206 0.83 CYP2C19 (0.56) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL7136112 0.80 CYP2C19 (0.54) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL5209412 0.80 CYP2C19 (0.54) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL5209418 0.80 CYP2C19 (0.54) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL2464278 0.80 CYP2C19 (0.55) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11465830 0.78 CYP2C19 (0.56) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL3078147 0.78 CYP2C19 (0.64) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7138153 0.78 CYP2C19 (0.56) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL8541503 0.78 CYP2C19 (0.52) IDO1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL10993775 0.77 CYP2C19 (0.52) IDO1CYP2C19CYP1A2CYP3A4CYP2D6

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
EP-0499521-A1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-08-19 EP claimed
US-20160346374-A1 SYNTHETIC VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 1 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-12-01 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 (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-20160346374-A1 SYNTHETIC VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 1 NEU1, ALG1, CSGALNACT1 IDO1 455/4885CYP2C19 4363/4885CYP1A2 4231/4885

“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.