SCHEMBL5774843

SCHEMBL5774843

O/N=C/c1cc(F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
HPGD P15428 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37

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
SCHEMBL5774846 1.00 MAPT (0.43) MAPTNPC1RAB9AHPGDHTT
SCHEMBL533848 0.84 MAPT (0.44) MAPTNPC1RAB9AHPGDHTT
SCHEMBL17434732 0.84 MAPT (0.44) MAPTNPC1RAB9AHPGDHTT
SCHEMBL533849 0.84 MAPT (0.44) MAPTNPC1RAB9AHPGDHTT
Hydrochloric Acid SCHEMBL28407169 0.82 MAPT (0.43) MAPTNPC1RAB9AHPGDHTT
SCHEMBL1968880 0.79 NFE2L2 (0.48) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5805553 0.79 TSHR (0.54) MAPTNPC1RAB9AHPGDHTT
SCHEMBL2924111 0.79 NFE2L2 (0.48) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL30778025 0.79 TSHR (0.54) MAPTNPC1RAB9AHPGDHTT
SCHEMBL1968882 0.79 NFE2L2 (0.48) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUITIS S A (CH) 2016-02-04 US disclosed
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO 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-20160030321-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP MAPT 921/4885NPC1 840/4885RAB9A 537/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 MAPT 4342/4885NPC1 17/4885RAB9A 1749/4885

“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.