SCHEMBL19688317

SCHEMBL19688317

NCCCN(Cc1ccncc1)Cc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.52
▸ LOXL2 Q9Y4K0 2/20 0.48
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CYP2A6 P11509 1/20 0.36

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
SCHEMBL1820528 0.92 HRH1 (0.58) HRH1LOXL2CYP1A2CYP3A4CYP2D6
SCHEMBL11922727 0.89 HRH1 (0.46) HRH1LOXL2MAPT
SCHEMBL4726195 0.88 LOXL2 (0.52) HRH1LOXL2CYP1A2CYP3A4CYP2D6
SCHEMBL4205219 0.83 HRH1 (0.51) HRH1
SCHEMBL713426 0.81 MAPT (0.55) MAPT
SCHEMBL1685452 0.79 CARM1 (0.53) —
SCHEMBL27946217 0.78 CYP2A6 (0.61) HRH1CYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL21444971 0.78 LOXL2 (0.50) HRH1LOXL2CYP1A2CYP3A4CYP2D6
SCHEMBL27971485 0.77 HRH1 (0.53) HRH1LOXL2CYP1A2CYP3A4CYP2D6
SCHEMBL10851197 0.76 MAPT (0.61) MAPT

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-11241014-B2 Antimicrobial coatings and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2022-02-08 — — US disclosed
US-20200281205-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF NATIONAL SCIENCE FOUNDATION 2020-09-10 — — US disclosed
US-20180030165-A1 Polycations and Methods of Making and Using Thereof NATIONAL SCIENCE FOUNDATION 2018-02-01 — — US disclosed
WO-2017210347-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2017-12-07 — — WO disclosed
CN-103459573-B Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH S.A. (CH) 2015-11-25 — — CN disclosed
CN-103459573-A Balanced dynamic mixtures for controlled release of perfuming aldehydes and ketones FIRMENICH & CIE 2013-12-18 — — CN 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 (3 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-20200281205-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF MPO, LPO, CUTA HRH1 3702/4885LOXL2 738/4885CYP1A2 3698/4885
US-11241014-B2 Antimicrobial coatings and methods of making and using thereof MPO, LPO, CUTA HRH1 3702/4885LOXL2 738/4885CYP1A2 3698/4885
US-20180030165-A1 Polycations and Methods of Making and Using Thereof POLI, PARG, PCNA HRH1 4652/4885LOXL2 4731/4885CYP1A2 4789/4885

“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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