SCHEMBL22201000

SCHEMBL22201000

S=C(CC1CCCC1)Nc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.47
FPR2 P25090 1/20 0.45
ATG4B Q9Y4P1 1/20 0.44
BCL6 P41182 1/20 0.44

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
SCHEMBL22201003 0.82 EPHX2 (0.66) ALDH1A1POLBNAMPT
SCHEMBL10587520 0.77 ALDH1A1 (0.64) ALDH1A1POLBMAPTKDM4EGAA
SCHEMBL10432097 0.76 ALDH1A1 (0.65) ALDH1A1POLBMAPTKDM4EGAA
SCHEMBL15349076 0.74 ALDH1A1 (0.60) ALDH1A1POLBMAPTKDM4EGAA
SCHEMBL7453800 0.73 EPHX1 (0.70) ALDH1A1POLBNAMPTFPR2
SCHEMBL6778508 0.72 GBA1 (0.51) ALDH1A1POLBNAMPT
SCHEMBL15510403 0.71 MAPT (0.74) ALDH1A1MAPTKDM4E
SCHEMBL5528440 0.70 FPR2 (0.61) ALDH1A1POLBNAMPTFPR2
SCHEMBL9672087 0.70 ALDH1A1 (0.54) ALDH1A1POLBMAPTKDM4EGAA
SCHEMBL29972743 0.69 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ENAMPTATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773075-B2 Modulators of p97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-10-03 US disclosed
US-11773075-B2 Modulators of p97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-10-03 US disclosed
US-11773075-B2 Modulators of p97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-10-03 US disclosed
US-20220089565-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-03-24 US disclosed
US-20220089565-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-03-24 US disclosed
US-11214560-B2 Modulators of P97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-01-04 US disclosed
US-11214560-B2 Modulators of P97 AAA ATPase activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-01-04 US disclosed
US-20200216410-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 US disclosed
US-20200216410-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 US disclosed
WO-2018209083-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-11-15 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 (4 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-20220089565-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY PSMG3, CDC37, AHSA1 ALDH1A1 3583/4885POLB 686/4885MAPT 370/4885
US-20200216410-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY PSMG3, AHSA1, CDC37 ALDH1A1 3652/4885POLB 747/4885MAPT 452/4885
US-11214560-B2 Modulators of P97 AAA ATPase activity PSMG3, AHSA1, CDC37 ALDH1A1 3652/4885POLB 747/4885MAPT 452/4885
US-11773075-B2 Modulators of p97 AAA ATPase activity PSMG3, CDC37, AHSA1 ALDH1A1 3583/4885POLB 686/4885MAPT 370/4885

“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.