SCHEMBL6784532

SCHEMBL6784532

Cc1ccccc1CNN

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
CHRM2 P08172 2/20 0.53
TAAR1 Q96RJ0 1/20 0.52
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.48
KDM4E B2RXH2 1/20 0.47
IDO1 P14902 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.41

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
Hydrochloric Acid SCHEMBL22632831 0.98 ALDH1A1 (0.57) ALDH1A1GAAMAPTCHRM2TAAR1
SCHEMBL22073548 0.83 ALDH1A1 (0.47) ALDH1A1GAAMAPTCHRM2TAAR1
SCHEMBL8178160 0.82 MAPT (0.46) ALDH1A1GAAMAPTCHRM2TAAR1
SCHEMBL40401 0.80 CHRM2 (0.69) ALDH1A1GAACHRM2TAAR1KMT2A
Hydrochloric Acid SCHEMBL6065696 0.78 CHRM2 (0.67) ALDH1A1GAAMAPTCHRM2TAAR1
SCHEMBL4582835 0.78 CHRM2 (0.55) ALDH1A1GAACHRM2TAAR1KMT2A
SCHEMBL606716 0.78 CHRM2 (0.55) ALDH1A1GAAMAPTCHRM2TAAR1
SCHEMBL21389316 0.77 TAAR1 (0.59) ALDH1A1GAAMAPTCHRM2TAAR1
Hydrochloric Acid SCHEMBL15066991 0.77 MAPT (0.46) ALDH1A1GAAMAPTCHRM2TAAR1
SCHEMBL11550242 0.77 MAPK8 (0.54) ALDH1A1GAAKMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-20220169632-A1 METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-02 US disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
US-20160237061-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-18 US disclosed
WO-2014185751-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-11-20 WO disclosed
WO-2014003440-A1 A NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-01-03 WO disclosed
US-6737424-B2 THERAPY FOR NERVOUS SYSTEM DISORDERS ZENECA LTD. (GB) 2004-05-18 US disclosed
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5492894-A TRI TO HEXAPEPTIDE COTAINING ATLEAST THREE AMINO ACIDS IN THE FORM OF ARGANINE AND LYSINE FOR TOPICALLY APPLYING TO THE SKIN OF MAMMAL TO REGULATE WRINKLES THE PROCTER & GAMBLE COMPANY (US) 1996-02-20 US disclosed
US-4076943-A DIURETICS, SALURETICS, ANTIHYPERTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed
US-4061653-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-3950528-A HYPOTENSIVE AGENTS, SALURETICS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 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-20220169632-A1 METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS NAMPT, NMT2, NNMT ALDH1A1 1673/4885GAA 656/4885MAPT 668/4885
US-20160237061-A1 ORGANIC COMPOUNDS CHRNG, CHRM3, CHRNB1 ALDH1A1 1226/4885GAA 2034/4885MAPT 2537/4885

“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.