SCHEMBL23489290

SCHEMBL23489290

C#C/N=C(\N)Nc1cccc(C(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
RAB9A P51151 7/20 0.56
NPC1 O15118 5/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.48
GPR17 Q13304 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
SCHEMBL23455503 0.86 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6777924 0.86 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6777923 0.86 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23489291 0.85 KMT2A (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL308570 0.79 ALDH1A1 (0.77) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7975430 0.77 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL983433 0.77 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL863169 0.75 RAB9A (0.71) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11654124 0.75 RAB9A (0.71) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6242208 0.73 RAB9A (0.84) ALDH1A1RAB9ANPC1MAPTSMN1; 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 2 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
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 ALDH1A1 227/4885RAB9A 2227/4885NPC1 651/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ALDH1A1 227/4885RAB9A 2227/4885NPC1 651/4885

“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.