SCHEMBL506349

SCHEMBL506349

CC(N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
TSHR P16473 1/20 0.52
MAOA P21397 1/20 0.52
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
ADRB2 P07550 1/20 0.46
SRD5A2 P31213 1/20 0.46
PTGS1 P23219 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
SOS1 Q07889 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL1744599 1.00 LTA4H (0.52) LTA4HTSHRMAOAACACBACACA
SCHEMBL7598855 1.00 LTA4H (0.52) LTA4HTSHRMAOAACACBACACA
Hydrochloric Acid SCHEMBL11741463 0.98 LTA4H (0.50) LTA4HTSHRMAOAACACBACACA
Hydrochloric Acid SCHEMBL22159302 0.98 LTA4H (0.50) LTA4HTSHRMAOAACACBACACA
Hydrochloric Acid SCHEMBL14831299 0.98 LTA4H (0.50) LTA4HTSHRMAOAACACBACACA
SCHEMBL24152555 0.91 ADRB2 (0.54) LTA4HTSHRMAOAACACBACACA
SCHEMBL1744124 0.85 MAPT (0.59) ACACBACACASRD5A2PTGS1
SCHEMBL9523805 0.83 LTA4H (0.48) LTA4HTSHRMAOAACACBACACA
SCHEMBL21273605 0.83 TEAD4 (0.56) LTA4HADRB2CA1CA2CA9
SCHEMBL756642 0.83 LTA4H (0.52) LTA4HTSHRMAOAADRB2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354727-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2020-10-07 EP claimed
EP-2385983-B1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2017-12-20 EP claimed
EP-3434674-B1 ((4-(2-OXOIMIDAZOLIDINE-1-YL)PYRIMIDIN-2-YL)AMINE DERIVATIVES AS MUTANT IDH INHIBITORS FOR TREATING CANCER SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-02-24 EP disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2020-06-16 US disclosed
US-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-18 US disclosed
US-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-04-18 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
US-6127414-A NPY antagonists ASTRA AKTIEBOLAG (SE) 2000-10-03 US disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 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 (4 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A LTA4H 1969/4885TSHR 4227/4885MAOA 1461/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 LTA4H 2456/4885TSHR 170/4885MAOA 462/4885
US-20190111056-A1 COMPOUND HAVING MUTANT IDH INHIBITORY ACTIVITY, PREPARATION METHOD AND USE THEREOF IDH1, IDH3A, IDH2 LTA4H 3781/4885TSHR 4462/4885MAOA 3509/4885
US-10682352-B2 Compound having mutant IDH inhibitory activity, preparation method and use thereof IDH1, IDH3A, IDH2 LTA4H 3781/4885TSHR 4462/4885MAOA 3509/4885

“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.