SCHEMBL3199396

SCHEMBL3199396

FC(F)(F)c1cccc(Cl)c1.OBO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CES2 O00748 1/20 0.47
MGLL Q99685 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CETP P11597 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
XBP1 P17861 1/20 0.44
SLC2A1 P11166 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL592796 0.91 ALDH1A1 (0.58) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL29635769 0.91 ALDH1A1 (0.58) MAPTMEN1ALDH1A1KMT2ACYP1A2
Hydrogen Sulfide SCHEMBL28290770 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL28249187 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL28270887 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL1504949 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
Water SCHEMBL28200366 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL1504946 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL10607069 0.89 ALDH1A1 (0.56) MAPTMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL1646477 0.84 TSHR (0.56) MAPTMEN1ALDH1A1KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105272967-B Triazines epidermal growth factor receptor inhibitor and its application 南京圣和药业股份有限公司 2019-05-24 CN disclosed
CN-109280032-A A kind of histon deacetylase (HDAC) inhibitor and its preparation method and application of pyridazinone mother nucleus structure 中国科学院上海药物研究所 2019-01-29 CN disclosed
CN-107849045-A Purine radicals N hydroxy pyrimidine carboxamides derivatives and its production and use 贵州百灵企业集团制药股份有限公司 2018-03-27 CN disclosed
CN-105272967-A Triazine epidermal growth factor acceptor inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO LTD 2016-01-27 CN disclosed
CN-105175349-A Phenyl substituted triazine compounds adopted as EGFR inhibitor, and applications thereof NANJING SANHOME PHARMACEUTICAL CO LTD 2015-12-23 CN disclosed
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US disclosed
US-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-12-04 US disclosed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP disclosed
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 WO 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 (2 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-20080300261-A1 Arylacetic Acids and Related Compounds for Treatment of Alzheimer's Disease PSEN2, PSEN1, NAT1 MAPT 16/4885MEN1 4509/4885ALDH1A1 126/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R MAPT 3925/4885MEN1 4176/4885ALDH1A1 1164/4885

“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.