Hydrochloric Acid

Hydrochloric Acid

SCHEMBL460640

C=CC[n+]1c(Cl)c2ccccc2c2ccc3ccccc3c21.[Cl-]

nearest known ligand 0.42

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 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HPRT1 P00492 3/20 0.37
▸ CYP2A6 P11509 3/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HPGD P15428 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
SCHEMBL460353 0.71 KDM4E (0.49) KDM4ELMNAHPRT1CYP2A6ALDH1A1
Iodide SCHEMBL5892501 0.66 KDM4E (0.43) KDM4ECYP3A4MAPTAPEX1CYP2A6
Iodide SCHEMBL7114184 0.66 KDM4E (0.43) KDM4ELMNAMAPTMAPK1CYP2A6
Chrysene SCHEMBL1460501 0.62 HPRT1 (0.93) LMNACYP3A4MAPTAPEX1MAPK1
Chrysene SCHEMBL18627967 0.62 HPRT1 (0.93) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL27929749 0.61 HPRT1 (0.70) LMNACYP3A4MAPTAPEX1MAPK1
Ethylene SCHEMBL28814532 0.60 HPRT1 (0.88) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL31177955 0.60 HPRT1 (1.00) LMNACYP3A4MAPTAPEX1MAPK1
Chrysene SCHEMBL27115 0.60 HPRT1 (1.00) LMNACYP3A4MAPTAPEX1MAPK1
Chrysene SCHEMBL384031 0.60 HPRT1 (1.00) LMNACYP3A4MAPTAPEX1MAPK1

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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 — — US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 — — 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH KDM4E 536/4885LMNA 2208/4885CYP3A4 131/4885

“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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