SCHEMBL16772489

SCHEMBL16772489

N#Cc1c(Cl)nc(SCc2ccccc2)nc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.95

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.95
MEN1 O00255 4/20 0.95
CYP1A2 P05177 2/20 0.95
CYP2C9 P11712 2/20 0.95
CYP2C19 P33261 2/20 0.95
ALDH1A1 P00352 2/20 0.95
HPGD P15428 2/20 0.95
PPARG P37231 1/20 0.95
HTT P42858 1/20 0.95
NCOA2 Q15596 1/20 0.95
NCOA1 Q15788 1/20 0.95
ACMSD Q8TDX5 2/20 0.71
KDM1A O60341 9/20 0.67
ADORA1 P30542 1/20 0.53
POLB P06746 2/20 0.51
DCUN1D1 Q96GG9 2/20 0.48

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
SCHEMBL16772559 0.86 KMT2A (0.71) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17548441 0.86 KMT2A (0.78) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16772545 0.85 MEN1 (0.69) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL17548498 0.83 ACMSD (1.00) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16772582 0.81 MEN1 (0.65) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL29114049 0.80 ACMSD (0.68) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30613089 0.80 ACMSD (0.68) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6218562 0.78 KMT2A (0.76) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16772558 0.78 ALDH1A1 (0.60) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15955491 0.77 MEN1 (0.65) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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 KMT2A 4137/4885MEN1 2848/4885CYP1A2 3004/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A KMT2A 4137/4885MEN1 2848/4885CYP1A2 3004/4885

“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.