Sugi Predict

Sugi Predict / Compounds / SCHEMBL717989

SCHEMBL717989

SCHEMBL717989

CCCCCCC(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1oc2ccc(OC)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ GCG P01275 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ CCKBR P32239 2/20 0.35

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
SCHEMBL720030 0.93 KMT2A (0.43) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL718234 0.92 NPC1 (0.45) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL718793 0.91 KMT2A (0.42) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720182 0.90 KMT2A (0.42) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720472 0.89 KMT2A (0.41) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL716911 0.88 KMT2A (0.40) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720932 0.87 KDM4E (0.43) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720202 0.87 KMT2A (0.46) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL717999 0.86 GCGR (0.47) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL720118 0.86 KMT2A (0.43) KMT2ANPC1RAB9AKDM4EALDH1A1

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 — — 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885NPC1 902/4885RAB9A 2454/4885

“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.