SCHEMBL18280294

SCHEMBL18280294

Cc1nc(Nc2cccc([N+](=O)[O-])c2)c(C)c(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.49
TNF P01375 2/20 0.49
ABCG2 Q9UNQ0 7/20 0.48
PDE5A O76074 1/20 0.48
ABCC1 P33527 1/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
MCL1 Q07820 1/20 0.47
DDX3X O00571 1/20 0.47
HTT P42858 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
SCHEMBL15055818 0.84 TNF (0.53) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL18280284 0.79 TNF (0.57) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL10835131 0.77 MEN1 (0.58) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL18280287 0.77 TNF (0.54) TNFABCG2ABCC1
SCHEMBL18280286 0.77 TNF (0.58) KMT2AMEN1MAPTALDH1A1TNF
SCHEMBL18280299 0.77 TNF (0.54) KMT2AMEN1MAPTRAB9ATNF
SCHEMBL15055192 0.76 TNF (0.62) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
Bromide SCHEMBL15055004 0.74 TNF (0.61) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL394734 0.73 KMT2A (0.67) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL12279013 0.73 BRD4 (0.59) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US claimed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 US claimed
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US disclosed
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US disclosed
US-9889139-B2 Method of treating inflammatory bowel disease comprising administering a pharmaceutical composition comprising a 6-aminopyridin-3-ol compound or a pharmaceutically acceptable salt thereof as an active ingredient to a subject RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2018-02-13 US disclosed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 US disclosed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 US disclosed
US-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT RESEARCH COOPERATION FOUNDATION OF YEUNGNAM UNIVERSITY (KR) 2016-12-08 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 (1 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-20160354352-A1 METHOD OF TREATING INFLAMMATORY BOWEL DISEASE COMPRISING ADMINISTERING A PHARMACEUTICAL COMPOSITION COMPRISING A 6-AMINOPYRIDIN-3-OL COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS AN ACTIVE INGREDIENT TO A SUBJECT SI, SLC10A2, ALPI SMN1; SMN2 2667/4885KMT2A 2694/4885MEN1 4339/4885

“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.