SCHEMBL5219701

SCHEMBL5219701

Cc1cc(O)nc(C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
CA2 P00918 2/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 2/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL1221655 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTPOLBCA2
SCHEMBL4729435 0.83 POLB (0.43) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL31492995 0.83 HSP90AA1 (0.34) MAPTMEN1KMT2ACYP2C9
SCHEMBL11095538 0.80 KDM4E (0.32) ALDH1A1SMN1; SMN2POLBKDM4EKMT2A
SCHEMBL10889888 0.80 HSP90AA1 (0.39) KDM4EMEN1KMT2A
SCHEMBL6181050 0.77 HMGCR (0.37) ALDH1A1SMN1; SMN2MAPTCA2ALOX15
SCHEMBL31493009 0.77 HSP90AA1 (0.31)
SCHEMBL12257766 0.74 KDM4E (0.39) ALDH1A1MAPTPOLBCYP1A2KDM4E
SCHEMBL27269547 0.74 HSP90AA1 (0.34) MAPTAURKACSF1RRETLTK
SCHEMBL2718532 0.73 NOS3 (0.48) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305840-A2 Pyrimidinyl(thiono)(thiol)-phosphoric-acid ester BAYER AG (DE) 1989-03-08 EP claimed
JP-1071892-A None JP disclosed
US-20260052896-A1 METAL CARBENE COMPLEX AND ITS USE UNIV CITY HONG KONG (HK) 2026-02-19 US disclosed
US-10166216-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2019-01-01 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2016-08-25 US disclosed
US-9353126-B2 Substituted triazoles useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS MIDCAP FINANCIAL TRUST 2015-03-12 US disclosed
US-8906922-B2 Substituted triazoles useful as AXl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
EP-0305837-B1 THIONO-PHOSPHONIC-ACID ESTER BAYER AG (DE) 1992-03-18 EP disclosed
US-4940698-A Insecticidal thionophosphonates BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
US-4882320-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-11-21 US disclosed
EP-0305837-A2 Thiono-phosphonic-acid ester BAYER AG (DE) 1989-03-08 EP disclosed
EP-0305840-A2 Pyrimidinyl(thiono)(thiol)-phosphoric-acid ester BAYER AG (DE) 1989-03-08 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 (7 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT ALDH1A1 171/4885SMN1; SMN2 41/4885MAPT 30/4885
US-10166216-B2 Substituted triazoles useful as Axl inhibitors AXL, TYRO3, MERTK ALDH1A1 4309/4885SMN1; SMN2 3354/4885MAPT 2341/4885
US-20150072959-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK ALDH1A1 4309/4885SMN1; SMN2 3354/4885MAPT 2341/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885SMN1; SMN2 2655/4885MAPT 3010/4885
US-20160243085-A1 SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK ALDH1A1 4309/4885SMN1; SMN2 3354/4885MAPT 2341/4885
US-20260052896-A1 METAL CARBENE COMPLEX AND ITS USE CYBA, OPRD1, OXER1 ALDH1A1 1215/4885SMN1; SMN2 3689/4885MAPT 2951/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 ALDH1A1 2732/4885SMN1; SMN2 4804/4885MAPT 3845/4885

“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.