Sugi Predict

Sugi Predict / Compounds / SCHEMBL2118902

SCHEMBL2118902

SCHEMBL2118902

Cc1ccc(Cc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC6 Q9UBN7 6/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ KMT2A Q03164 3/20 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
SCHEMBL2116521 0.88 POLB (0.51) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL2119052 0.80 POLB (0.51) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL404019 0.79 KDM4E (0.61) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL2611393 0.79 RAB9A (0.49) PDE5AKDM4ERECQLALDH1A1SMN1; SMN2
SCHEMBL2115685 0.78 KDM4E (0.52) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL4550162 0.77 KDM4E (0.55) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL2118977 0.76 HDAC6 (0.50) KDM4ERECQLPOLBALDH1A1SMN1; SMN2
SCHEMBL2611274 0.76 HTT (0.51) PDE5AKDM4ERECQLALDH1A1SMN1; SMN2
SCHEMBL404893 0.76 PDE5A (0.64) PDE5AKDM4ERECQLPOLBALDH1A1
SCHEMBL2118969 0.76 ALDH1A1 (0.50) KDM4ERECQLPOLBALDH1A1HTT

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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — 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 (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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PDE5A 2832/4885KDM4E 769/4885RECQL 1493/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PDE5A 2832/4885KDM4E 769/4885RECQL 1493/4885

“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.