SCHEMBL7128014

SCHEMBL7128014

Cc1ncn(-c2cccc(Nc3nc4ccc(Cl)cc4s3)c2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
DYRK1A Q13627 1/20 0.42
FSCN1 Q16658 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CASP3 P42574 4/20 0.40
SENP7 Q9BQF6 4/20 0.40
SENP8 Q96LD8 3/20 0.40

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
SCHEMBL7119144 0.72 KDR (0.58) LCKKDR
SCHEMBL7977711 0.69 ILK (0.48) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3950889 0.69 SMN1; SMN2 (0.81) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3951197 0.68 NPC1 (0.69) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL1176219 0.67 NPC1 (0.59) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14314299 0.66 GAA (0.57) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL12393158 0.66 MEN1 (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7119164 0.65 NPC1 (0.60) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL14433291 0.64 MAPT (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL8122841 0.64 SMN1; SMN2 (0.66) RAB9ANPC1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 RAB9A 1556/4885NPC1 310/4885MAPT 3896/4885

“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.