Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3320097

COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC.[Cl-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
CYP3A4 P08684 3/20 1.00
MAPT P10636 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
HSD17B10 Q99714 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
MAPK1 P28482 1/20 1.00
CDC42 P60953 1/20 0.46
RAC1 P63000 1/20 0.46
ADRA1A P35348 1/20 0.38
RAD52 P43351 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
Water SCHEMBL4022544 0.98 KDM4E (1.00) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL278878 0.98 KDM4E (0.97) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL12942447 0.90 KDM4E (0.82) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL12903638 0.87 KDM4E (0.76) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL17539940 0.87 ALDH1A1 (0.76) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL29331926 0.87 ALDH1A1 (0.76) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL13076896 0.86 CYP3A4 (0.74) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL179694 0.86 CYP3A4 (0.74) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL191878 0.86 KDM4E (0.74) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL13076467 0.86 KDM4E (0.74) KDM4ECYP3A4MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US claimed
EP-2014651-A1 Compounds and methods for modulating Rho GTPases Exonhit Therapeutics SA (FR) 2009-01-14 EP claimed
US-20230024933-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2023-01-26 US disclosed
EP-4055164-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION Georg-August-Universitaet Goettingen Stiftung Oeffentlichen Rechts, Universitaetsmedizin (DE) 2022-09-14 EP disclosed
US-11331333-B2 Treatment of aberrant fibroblast proliferation Georg-August-Universität Göttingen Stiftung Öffentichen Rechts, Universitätsmadizin (DE) 2022-05-17 US disclosed
US-20210137963-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2021-05-13 US disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
EP-2014651-A1 Compounds and methods for modulating Rho GTPases Exonhit Therapeutics SA (FR) 2009-01-14 EP 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-20230024933-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION EYA2, EYA3, PTP4A1 KDM4E 1039/4885CYP3A4 4733/4885MAPT 3012/4885
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 KDM4E 3958/4885CYP3A4 4571/4885MAPT 2679/4885
US-20210137963-A1 TREATMENT OF ABERRANT FIBROBLAST PROLIFERATION EYA2, EYA3, PTP4A1 KDM4E 1039/4885CYP3A4 4733/4885MAPT 3012/4885
US-11331333-B2 Treatment of aberrant fibroblast proliferation EYA2, EYA3, PTP4A1 KDM4E 1039/4885CYP3A4 4733/4885MAPT 3012/4885

“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.