SCHEMBL3136303

SCHEMBL3136303

Cc1ccc(C)c(-c2cnc(N)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
NOS1 P29475 2/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 3/20 0.40
LIMK1 P53667 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL13593809 0.81 BACE1 (0.44) BACE1NOS1ALDH1A1MAPTRAB9A
SCHEMBL19981533 0.79 LIMK1 (0.55) BACE1NOS1ALDH1A1MAPTRAB9A
SCHEMBL3500308 0.74 CSNK2A1 (0.59) BACE1NOS1ALDH1A1MAPTRAB9A
SCHEMBL9954813 0.72 ALDH1A1 (0.54) BACE1NOS1ALDH1A1MAPTRAB9A
Formic Acid SCHEMBL30271555 0.71 LIMK1 (0.48) BACE1NOS1ALDH1A1MAPTRAB9A
SCHEMBL24090260 0.70 ALDH1A1 (0.58) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL21242477 0.70 NOS1 (0.55) BACE1NOS1ALDH1A1MAPTRAB9A
SCHEMBL24090368 0.69 ADORA1 (0.55) NOS1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL1696416 0.68 MAPT (0.45) ALDH1A1MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL2409689 0.68 MAPT (0.46) ALDH1A1MAPTKDM4ETP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380546-A1 VACCINE ADJUVANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-09 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
CN-101331125-A N-(5-membered aromatic ring)-amido anti-viral compounds GENELABS TECH INC (US) 2008-12-24 CN disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (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-20210380546-A1 VACCINE ADJUVANT IFNG, TLR9, LY96 BACE1 3441/4885NOS1 1925/4885ALDH1A1 2763/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 BACE1 1358/4885NOS1 1922/4885ALDH1A1 4423/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 BACE1 1358/4885NOS1 1922/4885ALDH1A1 4423/4885

“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.