SCHEMBL22095159

SCHEMBL22095159

CC(C)Cc1ccc2nc(I)ccc2n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ELANE P08246 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL14518833 0.74 PDE10A (0.42) ELANETLR7KDM4EMAPTCYP1A2
SCHEMBL5690187 0.71 CYP1A2 (0.57) ELANEMAPTCYP1A2
SCHEMBL117318 0.71 CYP1A2 (0.57) ELANEMAPTCYP1A2
SCHEMBL29399169 0.71 CYP1A2 (0.57) ELANEMAPTCYP1A2
Hydrochloric Acid SCHEMBL28287683 0.69 CYP1A2 (0.56) ELANECYP1A2
SCHEMBL22094948 0.69 BACE1 (0.49) NOS3NOS1NOS2KDM4EMAPT
SCHEMBL26508289 0.69 EGFR (0.37) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL22104955 0.69 PDE10A (0.35) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL18199915 0.69 CCR1 (0.50) NOS3NOS1NOS2TSHRMAPK1
SCHEMBL23420779 0.68 NOS3 (0.33) NOS3NOS1NOS2TSHRMAPK1

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-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-05-06 US disclosed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 US disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 SULT1A1, SULT2A1, SULT1E1 NOS3 153/4885NOS1 909/4885NOS2 899/4885
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 SULT1A1, SULT2A1, SULT1E1 NOS3 153/4885NOS1 909/4885NOS2 899/4885

“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.