SCHEMBL10144719

SCHEMBL10144719

Cc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ NPSR1 Q6W5P4 2/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ TP53 P04637 7/20 0.77
▸ MAPT P10636 4/20 0.77
▸ LMNA P02545 2/20 0.71
▸ HTT P42858 1/20 0.69
▸ NPC1 O15118 1/20 0.65
▸ GALR3 O60755 1/20 0.65
▸ NR2F2 P24468 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ ALOX5AP P20292 1/20 0.58
▸ TSHR P16473 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL15685952 0.84 LMNA (1.00) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL28432040 0.83 TSHR (0.76) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL7506833 0.83 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL29870044 0.83 TSHR (0.76) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL15568033 0.81 MEN1 (0.67) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL7970556 0.79 GALR3 (1.00) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL8420520 0.79 LMNA (0.73) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL15553033 0.79 TSHR (0.69) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL228889 0.79 LMNA (0.90) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2
SCHEMBL7508470 0.78 NPC1 (0.74) SMN1; SMN2MEN1KMT2ANPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 — — WO claimed
WO-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 — — WO disclosed
US-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 — — 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 SMN1; SMN2 4780/4885MEN1 3791/4885KMT2A 1652/4885

“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.

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