SCHEMBL5207718

SCHEMBL5207718

Nc1cc(C(=O)O)ccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAP4K4 O95819 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
CYP2C8 P10632 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
S1PR1 P21453 1/20 0.45
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KMT2A Q03164 2/20 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
SCHEMBL5203249 0.88 S1PR1 (0.61) KDM4EALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL5206695 0.86 ABCG2 (0.54) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL5203215 0.84 NPC1 (0.68) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL5207564 0.82 CHUK (0.54) POLBMAP4K4S1PR1
SCHEMBL5207567 0.81 KDM4E (0.47) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL5207083 0.80 NPC1 (0.59) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL26915334 0.78 NPC1 (0.52) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL5203777 0.75 NPC1 (0.72) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL12797780 0.74 NPC1 (0.66) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL18528795 0.73 NPC1 (0.69) KDM4EALDH1A1HSD17B10CYP1A2POLB

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 KDM4E 2371/4885ALDH1A1 700/4885HSD17B10 165/4885

“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.