SCHEMBL12569403

SCHEMBL12569403

Cc1ccc(N(C)CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AGXT P21549 1/20 0.34
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 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
SCHEMBL7186148 0.81 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP2A6TAAR1
SCHEMBL17776058 0.78 ALDH1A1 (0.44) ALDH1A1TSHRCYP1A2CYP2A6TAAR1
SCHEMBL8278827 0.77 ALDH1A1 (0.55) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL12569404 0.77 CA12 (0.47) ALDH1A1TSHRTAAR1
SCHEMBL22537610 0.76 ALDH1A1 (0.48) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL24604208 0.75 ALDH1A1 (0.52) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL26081358 0.75 ALDH1A1 (0.52) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL12789301 0.75 ALDH1A1 (0.52) ALDH1A1TSHRACHETDP1MAPT
Hydrochloric Acid SCHEMBL28804976 0.75 CA12 (0.45) ALDH1A1TSHRTAAR1TDP1
SCHEMBL14216230 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCYP1A2CYP2A6TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778791-A1 PHOTOCURABLE INK COMPOSITION AND IMAGE FORMING METHOD Fujifilm Corporation (JP) 2021-02-17 — — EP disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 — — US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 — — US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 — — US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 — — US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 — — US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 — — US disclosed
WO-2010018867-A1 DI-SUBSTITUTED BENZOPYRANE COMPOUND 日産化学工業株式会社 (JP) 2010-02-18 — — WO disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 — — US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 — — US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 — — US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 — — US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 — — 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 (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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ALDH1A1 2252/4885TSHR 472/4885CYP1A2 365/4885
US-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 ALDH1A1 2971/4885TSHR 1032/4885CYP1A2 529/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885TSHR 855/4885CYP1A2 385/4885

“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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