SCHEMBL22904641

SCHEMBL22904641

CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 1.00
CYP3A4 P08684 1/20 1.00
SMN1; SMN2 Q16637 1/20 0.59
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4213466 0.89 RORC (0.80) RORCCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL15684251 0.82 RORC (1.00) RORCCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL22018787 0.82 RORC (0.69) RORCCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL22018552 0.82 RORC (0.69) RORCCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL17762230 0.80 RORC (1.00) RORCCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL15684231 0.80 RORC (1.00) RORCCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL17762257 0.80 RORC (0.83) RORCCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL13832073 0.79 MEN1 (0.69) RORCCYP3A4SMN1; SMN2HPGDALDH1A1
SCHEMBL13831958 0.79 CYP3A4 (0.65) RORCCYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL17762415 0.78 RORC (0.65) RORCCYP3A4HPGDALDH1A1

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-20210017268-A1 METHODS FOR TREATING ALCOHOLIC LIVER DISEASE, ALCOHOL-INDUCED BRAIN INJURY AND REDUCING ALCOHOL ADDICTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-21 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-20210017268-A1 METHODS FOR TREATING ALCOHOLIC LIVER DISEASE, ALCOHOL-INDUCED BRAIN INJURY AND REDUCING ALCOHOL ADDICTION RORB, IL17A, RORC RORC 3/4885CYP3A4 3336/4885SMN1; SMN2 1334/4885

“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.