SCHEMBL22201003

SCHEMBL22201003

O=C(CC1CCCC1)Nc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.66
POLB P06746 1/20 0.58
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
ITGB3 P05106 2/20 0.57
ITGAV P06756 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
NAMPT P43490 3/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL22201000 0.82 ALDH1A1 (0.59) POLBNAMPTALDH1A1
SCHEMBL4866294 0.81 EPHX2 (0.97) EPHX2KMT2ANPC1RAB9ATDP1
SCHEMBL5639509 0.80 EPHX2 (0.71) EPHX2POLBKMT2ANPC1RAB9A
SCHEMBL3822162 0.80 EPHX2 (1.00) EPHX2KMT2ANPC1RAB9ATDP1
SCHEMBL7453800 0.79 EPHX1 (0.70) EPHX2POLBNAMPTALDH1A1L3MBTL1
SCHEMBL5142691 0.79 ALDH1A1 (0.73) EPHX2POLBKMT2ANPC1RAB9A
SCHEMBL26154069 0.78 EPHX2 (0.90) EPHX2KMT2ANPC1RAB9ATDP1
SCHEMBL19444720 0.77 NOTUM (0.57) POLBKMT2ATDP1NAMPTMEN1
SCHEMBL31734582 0.77 NAMPT (0.56) EPHX2KMT2ANPC1RAB9AITGB3
SCHEMBL26949358 0.77 NAMPT (0.56) EPHX2KMT2ANPC1RAB9AITGB3

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-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-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

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 EPHX2 3623/4885POLB 686/4885KMT2A 2875/4885
US-20200216410-A1 MODULATORS OF P97 AAA ATPASE ACTIVITY PSMG3, AHSA1, CDC37 EPHX2 3670/4885POLB 747/4885KMT2A 2851/4885
US-11214560-B2 Modulators of P97 AAA ATPase activity PSMG3, AHSA1, CDC37 EPHX2 3670/4885POLB 747/4885KMT2A 2851/4885
US-11773075-B2 Modulators of p97 AAA ATPase activity PSMG3, CDC37, AHSA1 EPHX2 3623/4885POLB 686/4885KMT2A 2875/4885

“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.