SCHEMBL6069388

SCHEMBL6069388

ON=C(Cl)c1cccnc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6599458 0.78 LMNA (0.53) SMN1; SMN2LMNAPOLBNPC1L3MBTL1
SCHEMBL17737963 0.78 LMNA (0.53) SMN1; SMN2LMNAPOLBNPC1L3MBTL1
SCHEMBL6599460 0.78 LMNA (0.53) SMN1; SMN2LMNAPOLBNPC1L3MBTL1
SCHEMBL29335085 0.78 NAPRT (0.53) SMN1; SMN2LMNAL3MBTL1EGFRALDH1A1
SCHEMBL1576965 0.78 TRIM24 (0.37) SMN1; SMN2LMNAL3MBTL1EGFRALDH1A1
SCHEMBL6069313 0.78 NAPRT (0.53) SMN1; SMN2LMNAL3MBTL1EGFRALDH1A1
SCHEMBL16202157 0.75 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBNPC1L3MBTL1
SCHEMBL105459 0.75 SMN1; SMN2 (0.70) SMN1; SMN2LMNAPOLBNPC1L3MBTL1
SCHEMBL29799007 0.75 SMN1; SMN2 (0.70) SMN1; SMN2LMNAPOLBNPC1L3MBTL1
Hydrochloric Acid SCHEMBL2683707 0.73 SMN1; SMN2 (0.68) SMN1; SMN2LMNAPOLBNPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037921-B2 Useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by multidrug resistance protein MRP1 ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1392702-B1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2005-11-30 EP disclosed
US-20040097507-A1 Compounds and methods for inhibiting mrp1 BONJOUKLIAN ROSANNE (US) 2004-05-20 US disclosed
EP-1392702-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002081482-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 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 (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-20040097507-A1 Compounds and methods for inhibiting mrp1 ABCC1, ABCB1, ABCB11 SMN1; SMN2 4456/4885LMNA 2127/4885POLB 979/4885

“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.