SCHEMBL16755705

SCHEMBL16755705

Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(O)c1Br)C2C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 1/20 0.33
PRMT1 Q99873 1/20 0.33
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 2/20 0.32
CASP1 P29466 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL20468552 0.92 ALDH1A1 (0.30) HSD17B10ALDH1A1MAPK1CASP1HIF1A
SCHEMBL16755710 0.71 MEN1 (0.33) CYP2C9ALDH1A1MAPK1CASP1HIF1A
SCHEMBL20080292 0.71 ADRA2A (0.32) ALDH1A1MAPK1CASP1LMNAMAPT
SCHEMBL13019593 0.68 PRMT1 (0.42) HSD17B10PRMT1AKR1B1ALDH1A1MAPK1
SCHEMBL20080328 0.65
SCHEMBL16755701 0.61 MAPT (0.62) HSD17B10CYP2C9ALDH1A1MAPK1CASP1
SCHEMBL20225302 0.61 MAPT (0.44) HSD17B10ALDH1A1MAPK1CASP1LMNA
SCHEMBL16755694 0.60 MAPT (0.64) HSD17B10CYP2C9ALDH1A1MAPK1CASP1
SCHEMBL8163979 0.60 PRMT1 (0.50) HSD17B10PRMT1AKR1B1ALDH1A1MAPK1
SCHEMBL12800155 0.59 ALOX5 (0.42) ALDH1A1MAPK1CASP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110664816-A SECA inhibitors and methods of making and using the same 佐治亚州立大学研究基金会公司 2020-01-10 CN disclosed
EP-3409666-A2 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF Georgia State University Research Foundation, Inc. (US) 2018-12-05 EP 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-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-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP disclosed
EP-2861580-B1 SECA INHIBITORS AND METHODS OF MAKING AND USING THEREOF UNIV GEORGIA STATE RES FOUND (US) 2018-04-25 EP 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
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 HSD17B10 929/4885CYP2D6 3196/4885CYP2C9 2821/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A HSD17B10 929/4885CYP2D6 3196/4885CYP2C9 2821/4885

“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.