SCHEMBL4607946

SCHEMBL4607946

Nc1ccc(Sc2ccccc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ANXA2 P07355 1/20 0.40
S100A10 P60903 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
GCK P35557 1/20 0.38
SLC6A4 P31645 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL5981668 0.89 ALDH1A1 (0.54) HTR2CHTR6ALDH1A1FFAR4ANXA2
SCHEMBL4610301 0.88 HTR2C (0.38) HTR2CHTR6ALDH1A1MAOAMAOB
SCHEMBL6568117 0.82 ALDH1A1 (0.43) ALDH1A1MAOAANXA2S100A10CYP3A4
SCHEMBL31160745 0.82 ALDH1A1 (0.39) HTR2CHTR6ALDH1A1MAOAANXA2
SCHEMBL6366825 0.81 MAOA (0.47) HTR2CHTR6ALDH1A1MAOAMAOB
SCHEMBL30398364 0.81 MAOA (0.47) HTR2CHTR6ALDH1A1MAOAMAOB
SCHEMBL585573 0.81 MAOA (0.47) HTR2CHTR6ALDH1A1MAOAMAOB
SCHEMBL29019053 0.76 ALDH1A1 (0.54) ALDH1A1FFAR4CYP3A4TSHRMAPK1
SCHEMBL4608930 0.76 MAOA (0.43) HTR2CHTR6ALDH1A1MAOAMAOB
SCHEMBL11354311 0.76 GCK (0.47) HTR2CHTR6ALDH1A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875014-B1 ANTI-MUCUS DRUGS AND USES THEREFOR UNIV WASHINGTON (US) 2017-11-29 EP disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed
US-4331817-A SULFIDING IN THE PRESENCE OF HALOGENS MINNESOTA MINING AND MANUFACTURING CO. (US) 1982-05-25 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 (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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB HTR2C 3932/4885HTR6 3881/4885ALDH1A1 15/4885
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR MAPK13, MAPK11, MUC1 HTR2C 3602/4885HTR6 1506/4885ALDH1A1 485/4885

“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.