SCHEMBL13265974

SCHEMBL13265974

Cc1cc(NC(=O)c2ccccc2Nc2ccc(N)cc2)on1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ GLA P06280 1/20 0.59
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.44
▸ EDNRA P25101 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL13265960 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1GLAKMT2AMEN1
SCHEMBL13265948 0.78 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1GLAKMT2APKM
SCHEMBL13265785 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1GLAKMT2AMEN1
SCHEMBL13265952 0.72 MAPT (0.67) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL13265954 0.71 TOP1 (0.65) SMN1; SMN2ALDH1A1KMT2AMEN1PKM
SCHEMBL2128794 0.69 FABP4 (0.71) SMN1; SMN2ALDH1A1KMT2AMEN1SIRT2
SCHEMBL29740645 0.69 FABP4 (0.71) SMN1; SMN2ALDH1A1KMT2AMEN1SIRT2
SCHEMBL22452889 0.69 MAPT (0.76) SMN1; SMN2ALDH1A1GLAKMT2AMEN1
SCHEMBL13265902 0.68 MAPT (0.60) SMN1; SMN2ALDH1A1KMT2AMEN1SIRT2
SCHEMBL13265907 0.68 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 SMN1; SMN2 4378/4885ALDH1A1 4359/4885GLA 4106/4885

“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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