SCHEMBL2633403

SCHEMBL2633403

COc1nc(O)nc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
FTO Q9C0B1 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL329417 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TSHRLMNA
SCHEMBL329816 0.82 LMNA (0.35) CYP1A2ALDH1A1ALOX15TSHRLMNA
SCHEMBL8795 0.82 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TSHRLMNA
SCHEMBL192561 0.82 LMNA (0.35) CYP1A2ALDH1A1TSHRFTOLMNA
SCHEMBL25013386 0.76 ALDH1A1 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL13173439 0.73 GAA (0.40) ALDH1A1TSHRLMNATDP1
SCHEMBL1965758 0.73 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15TSHR
SCHEMBL49187 0.73
SCHEMBL1425946 0.73
SCHEMBL9529398 0.71 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 US disclosed
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20070072136-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-29 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 (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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP1A2 436/4885ALDH1A1 623/4885ALOX15 2185/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP CYP1A2 527/4885ALDH1A1 1175/4885ALOX15 1108/4885
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 CYP1A2 1596/4885ALDH1A1 1536/4885ALOX15 2414/4885

“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.