SCHEMBL7761652

SCHEMBL7761652

Cc1ccc(Cn2c(C(C)(C)C)nc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.63
HTT P42858 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 2/20 0.55
TNF P01375 1/20 0.55
GALR3 O60755 2/20 0.55
NR2F2 P24468 2/20 0.55
RAB9A P51151 2/20 0.55
HTR3A P46098 1/20 0.54
TSHR P16473 1/20 0.53
CYP2D6 P10635 2/20 0.53
HRH1 P35367 2/20 0.53
KCNH2 Q12809 2/20 0.53
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL7756931 0.89 TNF (0.64) TP53HTTLMNAMEN1KMT2A
SCHEMBL7761087 0.88 GALR3 (0.67) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30195176 0.87 GALR3 (0.68) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6244545 0.82 AGTR1 (0.65) TP53HTTLMNAMEN1KMT2A
SCHEMBL6833621 0.81 TNF (0.81) TP53HTTLMNAMEN1KMT2A
SCHEMBL5581775 0.79 TP53 (0.91) TP53HTTLMNAMEN1KMT2A
SCHEMBL13258286 0.79 TP53 (0.67) TP53HTTLMNAMEN1KMT2A
SCHEMBL7756940 0.78 ALOX5AP (0.64) TP53HTTLMNAMEN1KMT2A
SCHEMBL7762123 0.78 HTT (0.59) TP53HTTLMNAMEN1KMT2A
SCHEMBL8366932 0.78 RAB9A (0.76) TP53HTTLMNAMEN1KMT2A

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 6 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
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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 (3 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A TP53 3634/4885HTT 769/4885LMNA 3288/4885
US-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS TP53 2336/4885HTT 3957/4885LMNA 3519/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A TP53 3598/4885HTT 681/4885LMNA 3274/4885

“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.