SCHEMBL18067945

SCHEMBL18067945

CN(CCN(CCN(C)C(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C)C(=O)Cc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.39
LTB4R2 Q9NPC1 6/20 0.39
SIGMAR1 Q99720 2/20 0.38
OPRK1 P41145 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRB3 P13945 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL18067959 0.82 ADRB3 (0.45) SIGMAR1ADRB3HDAC3HDAC1HDAC2
SCHEMBL18067950 0.81 PHLPP2 (0.41) ADRB3HDAC3HDAC1HDAC2NCOR2
SCHEMBL18067949 0.80 ADRB3 (0.46) SIGMAR1ADRB3HDAC3HDAC1HDAC2
SCHEMBL18067962 0.80 HDAC3 (0.46) ADRB3HDAC3HDAC1HDAC2NCOR2
SCHEMBL18067965 0.79 ALDH1A1 (0.45) ADRB3HDAC3HDAC1HDAC2NCOR2
SCHEMBL4497778 0.78 PHLPP2 (0.45) LTB4RLTB4R2SIGMAR1OPRK1POLB
SCHEMBL18067964 0.78 CA14 (0.41) HDAC3HDAC1HDAC2NCOR2CA14
SCHEMBL18067948 0.77 ADRB3 (0.42) ADRB3HDAC3HDAC1HDAC2NCOR2
SCHEMBL18067954 0.77 CTSL (0.46) POLBHDAC3HDAC1HDAC2NCOR2
SCHEMBL16682332 0.77 HDAC3 (0.51) ADRB3HDAC3HDAC1HDAC2NCOR2

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-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 LTB4R 2689/4885LTB4R2 1996/4885SIGMAR1 744/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 LTB4R 2542/4885LTB4R2 1796/4885SIGMAR1 809/4885

“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.