Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3386424

O=C(C[n+]1ccc(C=Cc2ccc(N3CCC(O)C3)cc2)cc1)NCCSSCCNC(=O)C[n+]1ccc(C=Cc2ccc(N3CCC(O)C3)cc2)cc1.[Cl-].[Cl-]

nearest known ligand 0.34

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 20)

geneUniProtsupporting neighboursconfidence
▸ WDR91 A4D1P6 3/20 0.34
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RORC P51449 3/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ AR P10275 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ STAT6 P42226 1/20 0.30

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
SCHEMBL3823380 0.99 WDR91 (0.35) WDR91PRKAG1PRKAA1PRKAB1ABL1
SCHEMBL3823383 0.99 WDR91 (0.35) WDR91PRKAG1PRKAA1PRKAB1ABL1
SCHEMBL15624244 0.94 SMN1; SMN2 (0.35) WDR91PRKAG1PRKAA1PRKAB1ABL1
SCHEMBL13327498 0.93 HDAC3 (0.34) WDR91HDAC3HDAC4HDAC1HDAC7
SCHEMBL18774288 0.88 — —
SCHEMBL18774306 0.87 HDAC3 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13327503 0.87 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL560375 0.86 PTGS2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL560376 0.86 PTGS2 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13799703 0.85 — —

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-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 — — US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 — — 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-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA WDR91 3430/4885PRKAG1 2624/4885PRKAA1 1109/4885

“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.

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