SCHEMBL13563783

SCHEMBL13563783

COn1nnc2cccnc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC9 Q9UKV0 2/20 0.33

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
SCHEMBL22898718 0.83 ALDH1A1 (0.38) BRD4ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL23050973 0.83 BRD4 (0.41) BRD4ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL22404895 0.82 BRD4 (0.38) BRD4ALDH1A1GAAKDM4EHDAC3
SCHEMBL12872109 0.82 BRD4 (0.35) BRD4ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL23055166 0.80 BRD4 (0.36) BRD4ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL10328259 0.80 HPSE (0.41) BRD4ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL10328047 0.78 SLC9A1 (0.44) ADORA3ADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL3605357 0.76 PARP1 (0.39) BRD4ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL798141 0.76 FAAH (0.41) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL12872113 0.76 BRD4 (0.36) BRD4ALDH1A1GAAFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360784-A1 TRIZOL-1-OL ANALOGS ANTI-RETROVIRAL LATENCY DRUGS UNIV UTAH RES FOUND (US) 2017-12-21 — — US disclosed
US-9730928-B2 Trizol-1-OL analogs anti-retroviral latency drugs UNIVERISTY OF UTAH RESEARCH FOUNDATION (US) 2017-08-15 — — US disclosed
US-20160151365-A1 TRIZOL-1-OL ANALOGS ANTI-RETROVIRAL LATENCY DRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-02 — — US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — 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 (3 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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP BRD4 3205/4885ADORA3 4630/4885ADORA2A 4840/4885
US-20170360784-A1 TRIZOL-1-OL ANALOGS ANTI-RETROVIRAL LATENCY DRUGS TRDMT1, ZC3HAV1, TRIM28 BRD4 458/4885ADORA3 1639/4885ADORA2A 2611/4885
US-20160151365-A1 TRIZOL-1-OL ANALOGS ANTI-RETROVIRAL LATENCY DRUGS TRDMT1, ZC3HAV1, TRIM28 BRD4 458/4885ADORA3 1639/4885ADORA2A 2611/4885

“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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