SCHEMBL31360144

SCHEMBL31360144

NC1(c2ccccc2-c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
PDK2 Q15119 1/20 0.39
TSHR P16473 2/20 0.38
KCNQ2 O43526 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B2 P19099 1/20 0.36
HSD17B10 Q99714 2/20 0.36
IMPDH2 P12268 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL25155269 1.00 NOTUM (0.40) NOTUMPDK2TSHRKCNQ2CYP1A2
SCHEMBL31360017 0.84 ALDH1A1 (0.43) HSD17B10MAPK1ALDH1A1
SCHEMBL25155914 0.84 ALDH1A1 (0.43) HSD17B10MAPK1ALDH1A1
SCHEMBL19000249 0.79 CYP1A2 (0.42) NOTUMCYP1A2CYP3A4CYP2C9ADORA2A
SCHEMBL20491056 0.78 PTGS2 (0.43) PDK2AKT1AKT2
SCHEMBL18952174 0.78 ALDH1A1 (0.40) PDK2TSHRMAPK1MAPTSMN1; SMN2
SCHEMBL18952107 0.78 PTGS2 (0.43) PDK2CYP1A2NPC1RAB9AFGFR1
SCHEMBL24582841 0.74 MAPT (0.40) PDK2MAPTSMN1; SMN2LMNANPC1
SCHEMBL4032281 0.72 NOTUM (0.63) NOTUMTSHRATAD2CYP19A1CYP11B2
SCHEMBL30708901 0.72 NOTUM (0.63) NOTUMTSHRATAD2CYP19A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 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 (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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD NOTUM 510/4885PDK2 3215/4885TSHR 3697/4885

“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.