SCHEMBL18280281

SCHEMBL18280281

Cc1nc(Nc2ccc(Cl)cc2)c(C)c(C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.68
NR1I2 O75469 1/20 0.48
AHR P35869 1/20 0.48
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
EGFR P00533 1/20 0.41
RXRA P19793 1/20 0.40
NR4A2 P43354 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR1 P34998 1/20 0.39

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
SCHEMBL18280283 0.86 TNF (0.63) TNFAHRKMT2AGAAMAPT
SCHEMBL18280291 0.83 TNF (0.64) TNFKMT2AMAPTRAB9AMEN1
SCHEMBL15055239 0.83 TNF (0.60) TNFNR1I2AHRKMT2AGAA
SCHEMBL15055192 0.83 TNF (0.62) TNFKMT2AGAAMAPTRAB9A
SCHEMBL18280286 0.81 TNF (0.58) TNFKMT2AMAPTMEN1ALDH1A1
Bromide SCHEMBL15055004 0.81 TNF (0.61) TNFKMT2AGAAMAPTRAB9A
SCHEMBL18280288 0.81 TNF (0.57) TNFKMT2AGAAMAPTRAB9A
SCHEMBL18280290 0.81 TNF (0.57) TNFKDRDHODHPDE4BPDE4D
SCHEMBL19127805 0.80 RAB9A (0.53) TNFKMT2AGAAMAPTRAB9A
SCHEMBL19128648 0.80 TNF (0.50) TNFKMT2AGAAMAPTMEN1

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 TNF 100/4885NR1I2 2972/4885AHR 996/4885

“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.