SCHEMBL1642990

SCHEMBL1642990

Cc1cccc(Oc2ccc3nc(NN)nc(N4CCOCC4)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
PIK3R1 P27986 3/20 0.44
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL424853 0.83 PIKFYVE (0.64) HPGDLMNAKDM4EPIK3CAMTOR
SCHEMBL424854 0.83 PIKFYVE (0.64) HPGDLMNAKDM4EPIK3CAMTOR
SCHEMBL425312 0.82 PIK3R1 (0.51) MERTKALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11863510 0.72 LMNA (0.53) MERTKALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11863517 0.71 ALDH1A1 (0.52) MERTKALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL425523 0.69 MTOR (0.70) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL11739337 0.68 ATM (0.70) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL4137879 0.68 SMN1; SMN2 (0.54) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL14412719 0.68 PIK3CA (0.55) ALDH1A1HPGDLMNAKDM4EMAPK1
SCHEMBL21054953 0.67 PIKFYVE (0.63) ALDH1A1HPGDLMNAKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MERTK 2605/4885ALDH1A1 1903/4885HPGD 424/4885

“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.