SCHEMBL16772408

SCHEMBL16772408

Cc1ccc(-c2nc(OCc3ccccc3)[nH]c(=O)c2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TNF P01375 1/20 0.57
▸ PLA2G1B P04054 1/20 0.57
▸ NOD2 Q9HC29 1/20 0.57
▸ NOD1 Q9Y239 1/20 0.57
▸ ATG4B Q9Y4P1 1/20 0.57
▸ ACMSD Q8TDX5 2/20 0.51
▸ HPGD P15428 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PPARG P37231 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ NCOR2 Q9Y618 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ BRD4 O60885 1/20 0.48
▸ ADORA1 P30542 2/20 0.47
▸ ADORA2A P29274 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
SCHEMBL16772399 0.92 ACMSD (0.59) POLBMEN1KMT2ATNFPLA2G1B
SCHEMBL16775373 0.89 HPGD (0.65) POLBMEN1KMT2AACMSDHPGD
SCHEMBL17550086 0.80 ACMSD (0.51) POLBMEN1KMT2ATNFNOD2
SCHEMBL17550091 0.80 ACMSD (0.66) POLBMEN1KMT2AACMSDHPGD
SCHEMBL23892751 0.72 MEN1 (0.44) POLBMEN1KMT2ATNFNOD2
SCHEMBL16772579 0.72 MEN1 (0.64) POLBMEN1KMT2ATNFPLA2G1B
SCHEMBL13946138 0.71 IP6K1 (0.51) POLBACMSDHPGDALDH1A1XDH
SCHEMBL20468620 0.71 MEN1 (0.89) POLBMEN1KMT2ATNFPLA2G1B
SCHEMBL16775376 0.70 MEN1 (0.68) POLBMEN1KMT2ATNFPLA2G1B
SCHEMBL4142417 0.70 HTT (0.50) MEN1KMT2AHPGDALDH1A1CYP1A2

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 2638/4885MEN1 2848/4885KMT2A 4137/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A POLB 2638/4885MEN1 2848/4885KMT2A 4137/4885

“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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