SCHEMBL5774615

SCHEMBL5774615

O=C(O)c1c(-c2c(F)cccc2Cl)noc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.55
GPBAR1 Q8TDU6 1/20 0.54
ATM Q13315 3/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
POLB P06746 2/20 0.51
ALOX15 P16050 1/20 0.51
KDM4E B2RXH2 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL899628 0.87 LMNA (0.68) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5775092 0.84 RORC (0.56) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL19216899 0.82 IDH1 (0.57) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6641249 0.80 SMN1; SMN2 (0.54) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6642279 0.80 SMN1; SMN2 (0.56) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6640075 0.80 KMT2A (0.61) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6640020 0.80 SMN1; SMN2 (0.54) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10520781 0.79 LMNA (0.68) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL30881266 0.79 LMNA (0.68) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1065677 0.79 LMNA (0.68) LMNASMN1; SMN2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US 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-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 LMNA 2547/4885SMN1; SMN2 4263/4885KMT2A 4688/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 LMNA 2127/4885SMN1; SMN2 4456/4885KMT2A 3995/4885

“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.