SCHEMBL17716973

SCHEMBL17716973

O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2ncsc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.67
▸ LMNA P02545 5/20 0.67
▸ HTT P42858 5/20 0.67
▸ MAPT P10636 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ ADCY1 Q08828 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ OPRK1 P41145 2/20 0.60
▸ CCR6 P51684 2/20 0.60
▸ ALOX12 P18054 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CXCR5 P32302 1/20 0.60
▸ APLNR P35414 1/20 0.60
▸ POLB P06746 1/20 0.58

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
SCHEMBL17717094 0.89 KDM4E (0.67) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL16689130 0.83 RAB9A (0.63) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL17717103 0.83 NPC1 (0.66) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL17717079 0.79 NPC1 (0.60) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL17717067 0.78 NPC1 (0.67) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL17717014 0.78 NPC1 (0.64) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL3493309 0.78 APP (0.51) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL38664264 0.76 KDM4E (0.73) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL20582130 0.76 ADCY1 (1.00) KDM4ELMNAHTTMAPTALDH1A1
SCHEMBL27837897 0.76 ADCY1 (0.77) KDM4ELMNAHTTMAPTALDH1A1

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 916/4885LMNA 1893/4885HTT 4354/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR KDM4E 916/4885LMNA 1893/4885HTT 4354/4885

“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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