SCHEMBL16772479

SCHEMBL16772479

C#CCSc1nc(-c2ccc(-c3ccccc3)cc2)c(C#N)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ HPGD P15428 3/20 0.70
▸ ACMSD Q8TDX5 4/20 0.69
▸ CXCR2 P25025 2/20 0.65
▸ BRD4 O60885 1/20 0.65
▸ HSD11B1 P28845 1/20 0.65
▸ PPARG P37231 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ NCOR2 Q9Y618 1/20 0.64
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ TNF P01375 2/20 0.62
▸ NOD2 Q9HC29 2/20 0.62
▸ NOD1 Q9Y239 2/20 0.62
▸ PLA2G1B P04054 1/20 0.62
▸ ATG4B Q9Y4P1 1/20 0.62
▸ MAPT P10636 1/20 0.60

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
SCHEMBL16775370 0.84 ACMSD (0.91) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16775286 0.84 ACMSD (0.95) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16772467 0.83 MEN1 (0.72) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL20099429 0.81 ACMSD (0.95) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16772576 0.81 RXFP1 (0.95) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16772627 0.81 ACMSD (0.83) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16775308 0.80 ACMSD (0.81) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL29272625 0.79 BRD4 (1.00) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16772480 0.79 ACMSD (0.69) POLBALDH1A1HPGDACMSDCXCR2
SCHEMBL16772524 0.77 ACMSD (0.84) POLBALDH1A1HPGDACMSDCXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 — — US disclosed
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 — — US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 — — US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 — — US disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 — — US disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 — — 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A POLB 2638/4885ALDH1A1 4172/4885HPGD 1514/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A POLB 2638/4885ALDH1A1 4172/4885HPGD 1514/4885

“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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