SCHEMBL23455604

SCHEMBL23455604

C/N=C(/NC)Nc1cccc(C(=O)OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
NPC1 O15118 5/20 0.65
ALDH1A1 P00352 2/20 0.58
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.51
GPR17 Q13304 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50

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
SCHEMBL23455606 1.00 RAB9A (0.65) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30073958 0.85 MEN1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23455411 0.85 MEN1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL6772413 0.83 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6772415 0.83 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20323586 0.81 RAB9A (0.72) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23518290 0.79 ITGB1 (0.54) NPC1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL23455508 0.79 RAB9A (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL11654124 0.78 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL863169 0.78 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 EP disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 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 (2 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 RAB9A 2227/4885NPC1 651/4885ALDH1A1 227/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 RAB9A 2227/4885NPC1 651/4885ALDH1A1 227/4885

“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.