SCHEMBL4302480

SCHEMBL4302480

C[C@@H](C(=O)O)N(O)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.42
OPRM1 P35372 4/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPRA P18433 1/20 0.40
LIPE Q05469 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4302479 1.00 POLB (0.43) POLBALDH1A1CYP1A2TSHROPRM1
SCHEMBL4953717 0.84 POLB (0.44) POLBALDH1A1CYP1A2TSHROPRM1
SCHEMBL4953723 0.84 POLB (0.44) POLBALDH1A1CYP1A2TSHROPRM1
SCHEMBL28679009 0.84 POLB (0.44) POLBALDH1A1CYP1A2TSHROPRM1
SCHEMBL5109203 0.81 POLB (0.42) POLBALDH1A1CYP1A2TSHROPRM1
SCHEMBL5109201 0.81 POLB (0.42) POLBALDH1A1CYP1A2TSHROPRM1
SCHEMBL5964851 0.79 ALOX5 (0.43) POLBALDH1A1TSHROPRM1LMNA
SCHEMBL7403429 0.79 POLB (0.40) POLBCYP1A2TSHROPRM1CYP3A4
SCHEMBL7403431 0.79 POLB (0.40) POLBCYP1A2TSHROPRM1CYP3A4
SCHEMBL29433262 0.79 OPRM1 (0.44) POLBALDH1A1CYP1A2TSHROPRM1

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-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 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 (1 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-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN POLB 2934/4885ALDH1A1 2911/4885CYP1A2 4378/4885

“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.