Acetic Acid

Acetic Acid

SCHEMBL2779537

CC(=O)O.COc1ccccc1CNC(=N)Nc1ncccc1Br

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 1/20 0.45
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
ANO1 Q5XXA6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL2782905 0.94 POLB (0.45) POLBMEN1KMT2ANPC1RAB9A
Acetic Acid SCHEMBL2780217 0.88 MAPT (0.41) POLBMEN1KMT2ARAB9ANPSR1
Acetic Acid SCHEMBL2778978 0.88 GFER (0.54) POLBMEN1KMT2ANPC1RAB9A
Acetic Acid SCHEMBL2781486 0.86 HTT (0.48) POLBMEN1KMT2ANPC1RAB9A
Acetic Acid SCHEMBL2783287 0.84 KMT2A (0.51) POLBMEN1KMT2ANPC1RAB9A
Acetic Acid SCHEMBL2778801 0.83 GAA (0.47) POLBMEN1KMT2ANPC1RAB9A
Acetic Acid SCHEMBL2780360 0.82 NPC1 (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL2782593 0.82 GFER (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL2779928 0.82 HTR2A (0.38) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL2781543 0.81 ALDH1A1 (0.47) POLBMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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 (1 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E POLB 4100/4885MEN1 4300/4885KMT2A 4384/4885

“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.