SCHEMBL19628853

SCHEMBL19628853

CC(S)OC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.45
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL11953212 0.86 NPC1 (0.65) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL3001175 0.78 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL11517284 0.77 MAPT (0.68) RAB9ASMN1; SMN2HPGDALDH1A1CA12
SCHEMBL15143918 0.74 SMN1; SMN2 (0.79) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL22071184 0.73 TP53 (0.48) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL7278525 0.73 ALDH1A1 (0.71) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL243401 0.72 CYP17A1 (0.56) ALDH1A1CA12CA2CA9EPHX2
SCHEMBL12369268 0.72 MITF (0.64) RAB9ASMN1; SMN2NPC1HPGDLMNA
SCHEMBL10668920 0.72 RAB9A (0.64) RAB9ASMN1; SMN2NPC1HPGDCYP2D6
SCHEMBL8052997 0.72 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1HPGDCYP1A2

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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis Westfaelische Wihelms-Universitaet Muenster (DE) 2019-07-16 US disclosed
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS Westfälische Wilhelms-Universität Münster (DE) 2017-11-23 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-10350315-B2 Quinoline-3-carboxamide compounds and their use in diagnosis S100A9, S100A4, S100A10 RAB9A 154/4885SMN1; SMN2 3694/4885NPC1 3035/4885
US-20170333577-A1 QUINOLINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE IN DIAGNOSIS S100A9, S100A4, S100A10 RAB9A 154/4885SMN1; SMN2 3694/4885NPC1 3035/4885

“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.