SCHEMBL19699520

SCHEMBL19699520

Cc1nc(NC(=O)C(C)C)sc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.68
CYP1A2 P05177 1/20 0.68
GAA P10253 1/20 0.68
CYP2C9 P11712 1/20 0.68
FFAR2 O15552 1/20 0.57
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
PKM P14618 2/20 0.53
HSPA5 P11021 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49

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
SCHEMBL25410224 0.81 RXFP1 (0.77) RXFP1CYP1A2GAACYP2C9NPC1
SCHEMBL10812910 0.80 RAB9A (0.68) RXFP1GAAFFAR2RAB9ANPC1
SCHEMBL16238270 0.80 RAB9A (0.64) RXFP1GAAFFAR2RAB9ANPC1
SCHEMBL155142 0.79 RAB9A (0.57) RXFP1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL25405454 0.78 GAA (0.72) RXFP1CYP1A2GAACYP2C9RAB9A
SCHEMBL9570845 0.77 CYP1A2 (0.57) RXFP1CYP1A2GAACYP2C9FFAR2
SCHEMBL27606981 0.77 RAB9A (0.56) RXFP1GAAFFAR2RAB9ANPC1
SCHEMBL2631604 0.77 RAB9A (0.56) RXFP1GAAFFAR2RAB9ANPC1
SCHEMBL27671645 0.76 MAPT (0.47) RXFP1CYP1A2GAACYP2C9FFAR2
SCHEMBL11219074 0.76 RAB9A (0.58) RXFP1GAAFFAR2RAB9ANPC1

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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (3 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 RXFP1 2149/4885CYP1A2 3074/4885GAA 2507/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RXFP1 1196/4885CYP1A2 2450/4885GAA 1203/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RXFP1 1182/4885CYP1A2 2481/4885GAA 1087/4885

“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.