SCHEMBL19989727

SCHEMBL19989727

O=C(O)c1ccc(-n2cnnn2)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.54
NOTUM Q6P988 3/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.49
ACLY P53396 1/20 0.48
F2 P00734 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL2757861 0.87 MAPT (0.53) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL4426068 0.86 NOTUM (0.64) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL6990234 0.86 ALDH1A1 (0.60) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL6425207 0.82 KMT2A (0.52) KCNJ1KMT2AALDH1A1RAB9ATP53
SCHEMBL6994169 0.82 KCNJ1 (0.50) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL6990316 0.81 KCNJ1 (0.49) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL6990901 0.80 KCNJ1 (0.48) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL4414155 0.79 KMT2A (0.50) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL28476725 0.79 RAB9A (0.46) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A
SCHEMBL1072252 0.79 KCNJ1 (0.71) KCNJ1NOTUMMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10279334-B2 Microporous metal-organic frameworks for the removal of acetylene from ethylene THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-07 US disclosed
US-20180085733-A1 MICROPOROUS METAL-ORGANIC FRAMEWORKS FOR THE REMOVAL OF ACETYLENE FROM ETHYLENE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-03-29 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-20180085733-A1 MICROPOROUS METAL-ORGANIC FRAMEWORKS FOR THE REMOVAL OF ACETYLENE FROM ETHYLENE AOC1, AOC2, SOD1 KCNJ1 1995/4885NOTUM 2379/4885MAPT 1926/4885
US-10279334-B2 Microporous metal-organic frameworks for the removal of acetylene from ethylene AOC1, AOC2, SOD1 KCNJ1 1995/4885NOTUM 2379/4885MAPT 1926/4885

“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.