SCHEMBL17717030

SCHEMBL17717030

CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.65
▸ ALDH1A1 P00352 5/20 0.61
▸ HPGD P15428 5/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ USP2 O75604 2/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ RAB9A P51151 3/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ TP53 P04637 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ ADCY1 Q08828 4/20 0.53
▸ TSHR P16473 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CCR6 P51684 2/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL17717062 0.84 KDM4E (0.68) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL22589775 0.83 KDM4E (0.58) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL18838505 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL22594340 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL17717035 0.80 KDM4E (0.65) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL22589724 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL16689130 0.77 RAB9A (0.63) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL22589774 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL22594330 0.74 KDM4E (0.56) KDM4EALDH1A1HPGDKMT2AUSP2
SCHEMBL17717108 0.74 ADCY1 (0.65) KDM4EALDH1A1HPGDKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 — — 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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885ALDH1A1 2647/4885HPGD 3089/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885ALDH1A1 2647/4885HPGD 3089/4885

“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.

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