SCHEMBL29640474

SCHEMBL29640474

Oc1csc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.56
MAPT P10636 3/20 0.54
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PKM P14618 1/20 0.46
ERN1 O75460 1/20 0.45
IDO1 P14902 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS1 P23219 1/20 0.42

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
SCHEMBL276823 1.00 CYP2A6 (0.56) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL1801896 0.75 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL4381193 0.74 CYP2A6 (0.54) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL27287015 0.73 ALDH1A1 (0.46) CYP2A6MAPTERN1CNR2ALDH1A1
SCHEMBL264791 0.72 CYP2A6 (0.52) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL5858617 0.71 MAPT (0.41) CYP2A6MAPTALDH1A1HSD17B10CA1
SCHEMBL4243900 0.71 ALDH1A1 (0.53) MAPTALDH1A1HSD17B10SMN1; SMN2CA1
SCHEMBL2248829 0.71 CYP2A6 (1.00) CYP2A6MAPTHDAC1HDAC6IDO1
SCHEMBL5370456 0.70 ERN1 (0.56) CYP2A6MAPTHDAC2ERN1ALDH1A1
SCHEMBL31148941 0.70 PTPN22 (0.45) CYP2A6MAPTERN1CNR2ALDH1A1

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
US-12084418-B2 Small molecule inhibitors of G(alpha)i2 protein and uses thereof CLARK ATLANTA UNIVERSITY, INC. (US) 2024-09-10 US disclosed
US-20220340526-A1 Small Molecule Inhibitors of G(alpha)i2 Protein and Uses Thereof GEORGIA TECH RESEARCH CORPORATION 2022-10-27 US disclosed
WO-2022140297-A1 SMALL MOLECULE INHIBITORS OF G(ALPHA)I2 PROTEIN AND USES THEREOF CLARK ATLANTA UNIVERSITY (US) 2022-06-30 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 (2 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-12084418-B2 Small molecule inhibitors of G(alpha)i2 protein and uses thereof GDI2, GNAI3, GNAI2 CYP2A6 3251/4885MAPT 4764/4885HDAC3 3791/4885
US-20220340526-A1 Small Molecule Inhibitors of G(alpha)i2 Protein and Uses Thereof GDI2, GNAI3, GNAI2 CYP2A6 3251/4885MAPT 4764/4885HDAC3 3791/4885

“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.