SCHEMBL1818682

SCHEMBL1818682

O=Cc1ccc2cc(F)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.50
CYP1A2 P05177 1/20 0.50
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29953142 1.00 CYP2A6 (0.50) CYP2A6CYP1A2MAOAMAOBALDH1A1
SCHEMBL29956213 0.93 CYP2A6 (0.48) CYP2A6CYP1A2MAOAMAOBALDH1A1
SCHEMBL11811006 0.90 MEN1 (0.41) CYP2A6CYP1A2ALDH1A1KDM4EPTGS2
SCHEMBL977774 0.85 CYP2A6 (0.54) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL13419486 0.82 CYP2A6 (0.44) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL30972495 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL19182196 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL9883838 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29617405 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29617404 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4EPTGS2RAB9A

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024001839-A1 HETEROAROMATIC RING COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-01-04 WO disclosed
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US disclosed
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
US-10336743-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2019-07-02 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS P2K DYNAMICS INC. 2017-08-31 US disclosed
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
CN-101014580-A Morpholine compound MITSUBISHI PHARMA CORP (JP) 2007-08-08 CN disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (8 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-20170247367-A1 AMINOPYRIMIDINE KINASE INHIBITORS PIM1, PIM2, PIM3 CYP2A6 3456/4885CYP1A2 3211/4885MAOA 4742/4885
US-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 CYP2A6 846/4885CYP1A2 2060/4885MAOA 2314/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CYP2A6 1595/4885CYP1A2 1420/4885MAOA 1234/4885
US-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 CYP2A6 1359/4885CYP1A2 47/4885MAOA 1610/4885
US-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 CYP2A6 1876/4885CYP1A2 533/4885MAOA 3792/4885
US-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A CYP2A6 2050/4885CYP1A2 2568/4885MAOA 2314/4885
US-10336743-B2 Aminopyrimidine kinase inhibitors PIM1, PIM2, PIM3 CYP2A6 3286/4885CYP1A2 2996/4885MAOA 4734/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 CYP2A6 1579/4885CYP1A2 47/4885MAOA 2654/4885

“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.