SCHEMBL12599050

SCHEMBL12599050

SC1=NC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14164164 0.76 CHRNB4 (0.38) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL17327925 0.69 KDM4E (0.36) RAB9ANPC1MEN1KMT2A
SCHEMBL14577595 0.69 TDO2 (0.38) ALDH1A1NOTUM
SCHEMBL22036678 0.68 L3MBTL1 (0.31)
SCHEMBL15828042 0.64 HSD11B1 (0.36) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL21239628 0.61 NPC1 (0.33) ALDH1A1RAB9ANPC1NOTUMKMT2A
SCHEMBL24051253 0.60 L3MBTL1 (0.35) ALDH1A1RAB9ANPC1NOTUMMEN1
SCHEMBL23992680 0.60 NPC1 (0.32) RAB9ANPC1MAPK1
Biphenyl SCHEMBL30086255 0.59 ALDH1A1 (0.90) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL28794039 0.59 ALDH1A1 (0.90) ALDH1A1RAB9ANPC1MAPK1NOTUM

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-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. 2011-05-12 US disclosed
US-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. 2011-05-12 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-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF IDO1, IDO2, IDH3B ALDH1A1 3147/4885RAB9A 3597/4885NPC1 4635/4885

“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.