Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1890487

C[n+]1ccc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccc([N+](=O)[O-])cc45)cc3)c2)cc1.[Cl-]

nearest known ligand 0.70

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
MAPT P10636 5/20 0.70
KMT2A Q03164 4/20 0.70
USP2 O75604 2/20 0.70
POLB P06746 3/20 0.58
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 2/20 0.58
THRB P10828 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MCL1 Q07820 1/20 0.58
MAPK14 Q16539 1/20 0.51
DNMT1 P26358 6/20 0.50
DNMT3A Q9Y6K1 5/20 0.50
DNMT3L Q9UJW3 3/20 0.50
BRAF P15056 1/20 0.46
ERBB2 P04626 1/20 0.46
PTK6 Q13882 1/20 0.46
MITF O75030 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL12218057 1.00 MAPT (0.70) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL12218117 0.94 MAPT (0.61) MAPTKMT2AUSP2POLBMAPK1
Hydrochloric Acid SCHEMBL1886048 0.94 MAPT (0.61) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL12218062 0.94 MAPT (0.79) MAPTKMT2AUSP2POLBMAPK1
Hydrochloric Acid SCHEMBL1884132 0.94 MAPT (0.79) MAPTKMT2AUSP2POLBMAPK1
Hydrochloric Acid SCHEMBL1884322 0.94 MAPT (0.79) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL3076951 0.93 KMT2A (0.67) MAPTKMT2AUSP2POLBMAPK1
SCHEMBL3076947 0.93 KMT2A (0.67) MAPTKMT2AUSP2POLBMAPK1
Hydrochloric Acid SCHEMBL1890987 0.93 MAPT (0.78) MAPTKMT2AUSP2POLBMAPK1
Hydrochloric Acid SCHEMBL1884267 0.92 KMT2A (0.66) MAPTKMT2AUSP2POLBMAPK1

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
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2011-10-20 US disclosed
US-7939546-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2011-05-10 US disclosed
CN-101889008-A Be used to regulate the quinoline of dna methylation SUPERGEN INC 2010-11-17 CN disclosed
US-7790746-B2 Quinoline derivatives for modulating DNA methylation SUPERGEN, INC. (US) 2010-09-07 US disclosed
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2010-05-27 US disclosed
EP-2174938-A1 Quinoline derivatives for modulating DNA methylation SuperGen, Inc. (US) 2010-04-14 EP disclosed
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-11-19 US disclosed
CN-101535295-A Quinoline derivatives for modulating DNA methylation SUPERGEN INC (US) 2009-09-16 CN disclosed
EP-2078008-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2009-07-15 EP disclosed
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 US disclosed
US-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-07-24 US disclosed
WO-2008046085-A2 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2008-04-17 WO 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 (5 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-20080175814-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20110256092-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20090285772-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20090099106-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885
US-20100129320-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION DNMT1, DNMT3A, DNMT3L MAPT 3156/4885KMT2A 28/4885USP2 1469/4885

“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.