SCHEMBL18067950

SCHEMBL18067950

CN(CCN(CCN(C)C(=O)c1ccc(N)cc1)C(=O)OC(C)(C)C)C(=O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.41
DRD2 P14416 1/20 0.39
ESRRG P62508 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAOA P21397 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MLYCD O95822 2/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA14 Q9ULX7 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL3938663 0.92 PHLPP2 (0.43) PHLPP2DRD2ESRRGHDAC3HDAC1
SCHEMBL6348214 0.85 MLYCD (0.42) PHLPP2MAOACYP2D6TSHRHTR3A
SCHEMBL18067945 0.81 LTB4R (0.39) PHLPP2HDAC3HDAC1HDAC2NCOR2
SCHEMBL18067962 0.80 HDAC3 (0.46) PHLPP2HDAC3HDAC1HDAC2NCOR2
SCHEMBL18067959 0.78 ADRB3 (0.45) PHLPP2ESRRGHDAC3HDAC1HDAC2
SCHEMBL30637703 0.78 ESRRG (0.55) DRD2ESRRGHDAC3HDAC1HDAC2
SCHEMBL18067946 0.78 PHLPP2 (0.62) PHLPP2MAOACYP2D6TSHRHTR3A
SCHEMBL1409728 0.77 PHLPP2 (0.56) PHLPP2DRD2ESRRGHDAC3HDAC1
SCHEMBL18067966 0.77 ALDH1A1 (0.58) ESRRGHDAC3HDAC1HDAC2NCOR2
SCHEMBL18067948 0.77 ADRB3 (0.42) ESRRGHDAC3HDAC1HDAC2NCOR2

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 PHLPP2 3540/4885DRD2 400/4885ESRRG 3595/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 PHLPP2 3663/4885DRD2 489/4885ESRRG 4061/4885

“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.