SCHEMBL17817823

SCHEMBL17817823

N#Cc1cc(CN)cc(CN)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.58
TTR P02766 2/20 0.36
ALB P02768 2/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NSD2 O96028 3/20 0.36
ST14 Q9Y5Y6 1/20 0.34
VCAM1 P19320 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
IDO1 P14902 1/20 0.32
TSHR P16473 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
SCHEMBL22506807 0.95 LOXL2 (0.58) LOXL2TTRALBCYP2A6MEN1
SCHEMBL30335660 0.84 LOXL2 (0.48) LOXL2
SCHEMBL319482 0.84 LOXL2 (0.48) LOXL2
SCHEMBL7896912 0.84 LOXL2 (0.48) LOXL2TTRALBCYP2A6NSD2
SCHEMBL1363861 0.84 LOXL2 (0.48) LOXL2TTRALBCYP2A6MEN1
SCHEMBL25054279 0.84 LOXL2 (0.48) LOXL2NSD2IDO1
SCHEMBL7403363 0.84 LOXL2 (0.48) LOXL2TTRALBCYP2A6MEN1
Hydrochloric Acid SCHEMBL32675272 0.83 LOXL2 (0.47) LOXL2TTRALBNSD2
SCHEMBL32675279 0.81 LOXL2 (0.45) LOXL2TTRALBCYP2A6NSD2
SCHEMBL169517 0.80 RXRA (0.46) LOXL2MEN1KMT2ANSD2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN disclosed
EP-3604286-B1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL CO (JP) 2022-01-19 EP disclosed
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-14 US disclosed
US-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-10-29 US disclosed
EP-3604286-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2020-02-05 EP disclosed
EP-3031803-B1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND METHOD FOR MANUFACTURING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-24 EP disclosed
US-9458116-B2 Benzoguanamine compound having aminomethyl group, or salt thereof, and method for manufacturing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-10-04 US disclosed
US-20160176827-A1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP, OR SALT THEREOF, AND METHOD FOR MANUFACTURING THE SAME MITSUBHIS GAS CHEMICAL COMPANY, INC. (JP) 2016-06-23 US disclosed
EP-3031803-A1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND METHOD FOR MANUFACTURING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2016-06-15 EP 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-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF JAK2, IL4I1, INMT LOXL2 4761/4885TTR 3994/4885ALB 2329/4885
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof JAK2, IL4I1, INMT LOXL2 4761/4885TTR 3994/4885ALB 2329/4885
US-20160176827-A1 BENZOGUANAMINE COMPOUND HAVING AMINOMETHYL GROUP, OR SALT THEREOF, AND METHOD FOR MANUFACTURING THE SAME BCAT2, GNMT, BCAT1 LOXL2 3127/4885TTR 3569/4885ALB 483/4885

“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.