SCHEMBL5203777

SCHEMBL5203777

Nc1ccccc1-c1nnc(-c2ccc(C(=O)O)cc2)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.72
RAB9A P51151 9/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 3/20 0.72
KDM4E B2RXH2 2/20 0.72
GAA P10253 1/20 0.72
ATAD2 Q6PL18 1/20 0.61
S1PR1 P21453 1/20 0.59
KMT2A Q03164 2/20 0.55
HDAC6 Q9UBN7 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
MEN1 O00255 1/20 0.50
MYC P01106 1/20 0.49
PTPN1 P18031 1/20 0.49
MAPT P10636 2/20 0.49
GLA P06280 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1H4 Q96RI1 2/20 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
SCHEMBL12171480 0.85 RAB9A (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2681562 0.84 RAB9A (0.93) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4883318 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12171404 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12171414 0.82 NPC1 (0.96) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12171339 0.82 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12171801 0.82 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12171744 0.82 RAB9A (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11438341 0.82 NPC1 (0.89) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL12171792 0.81 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG NPC1 828/4885RAB9A 1448/4885SMN1; SMN2 4686/4885

“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.