SCHEMBL20715330

SCHEMBL20715330

Cc1ccccc1Cn1c(C2CC2)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
GALR3 O60755 1/20 0.67
NR2F2 P24468 1/20 0.67
RAB9A P51151 1/20 0.67
TP53 P04637 5/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54

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
SCHEMBL7253536 0.80 ALDH1A1 (0.65) ALDH1A1GAATSHRCYP1A2CYP2D6
SCHEMBL7970556 0.80 GALR3 (1.00) NPC1GALR3NR2F2RAB9ATP53
SCHEMBL7508470 0.79 NPC1 (0.74) NPC1GALR3NR2F2RAB9ATP53
SCHEMBL12768325 0.78 NPC1 (0.72) NPC1GALR3NR2F2RAB9ATP53
SCHEMBL3969653 0.77 ALDH1A1 (0.61) ALDH1A1GAACYP2D6NOS3NOS1
SCHEMBL29870044 0.75 TSHR (0.76) NPC1GALR3NR2F2RAB9ATP53
SCHEMBL7506833 0.75 SMN1; SMN2 (0.71) NPC1GALR3NR2F2RAB9ATP53
SCHEMBL28432040 0.75 TSHR (0.76) NPC1GALR3NR2F2RAB9ATP53
SCHEMBL31596378 0.75 ALDH1A1 (0.58) ALDH1A1GAANOS3NOS1NOS2
SCHEMBL24142446 0.74 ALDH1A1 (0.58) ALDH1A1GAAKDM4EHIF1A

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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO 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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS NPC1 2132/4885GALR3 3966/4885NR2F2 2184/4885

“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.