SCHEMBL17717112

SCHEMBL17717112

O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.59
▸ TDP1 Q9NUW8 5/20 0.59
▸ MAPT P10636 3/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ LMNA P02545 7/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ HPGD P15428 4/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ KDM4E B2RXH2 8/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ ADCY1 Q08828 3/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL17318531 0.83 SMN1; SMN2 (0.62) HTTTDP1MAPTTSHRLMNA
SCHEMBL17717106 0.80 KDM4E (0.62) HTTTDP1MAPTLMNASMN1; SMN2
SCHEMBL17717101 0.76 MEN1 (0.77) HTTTDP1MAPTTSHRHSD17B10
SCHEMBL17717107 0.75 LMNA (0.67) HTTTDP1LMNASMN1; SMN2HPGD
SCHEMBL17717111 0.75 ADCY1 (0.67) HTTTDP1LMNASMN1; SMN2HPGD
SCHEMBL17717103 0.74 NPC1 (0.66) HTTTDP1MAPTLMNASMN1; SMN2
SCHEMBL17717065 0.74 LMNA (0.51) HTTTDP1MAPTTSHRLMNA
SCHEMBL17717012 0.74 SMN1; SMN2 (0.76) HTTTDP1MAPTTSHRLMNA
SCHEMBL18953056 0.73 TDP1 (0.65) HTTTDP1MAPTLMNASMN1; SMN2
SCHEMBL17716984 0.73 LMNA (0.49) HTTTDP1MAPTTSHRLMNA

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 HTT 4354/4885TDP1 3980/4885MAPT 4669/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR HTT 4354/4885TDP1 3980/4885MAPT 4669/4885

“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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