SCHEMBL4830664

SCHEMBL4830664

NCCC(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.51
KMT2A Q03164 3/20 0.51
CYP2C19 P33261 3/20 0.51
MEN1 O00255 2/20 0.51
CYP2D6 P10635 2/20 0.51
POLB P06746 2/20 0.51
GABBR2 O75899 5/20 0.50
GABBR1 Q9UBS5 5/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
THRB P10828 2/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
NFKB1 P19838 1/20 0.50
DRD3 P35462 1/20 0.50
BLM P54132 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.41

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
Hydrochloric Acid SCHEMBL22831450 0.98 CYP2C9 (0.50) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL27400979 0.89 POLB (0.49) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL4826506 0.85 GABBR2 (0.46) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL5860866 0.85 GABBR2 (0.58) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL31344403 0.85 GABBR2 (0.58) CYP2C9KMT2ACYP2C19MEN1CYP2D6
Hydrochloric Acid SCHEMBL191270 0.83 GABBR2 (0.56) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL22397201 0.83 POLB (0.53) CYP2C9KMT2ACYP2C19MEN1CYP2D6
Hydrochloric Acid SCHEMBL191271 0.83 GABBR2 (0.56) CYP2C9KMT2ACYP2C19MEN1CYP2D6
SCHEMBL1613696 0.82 HRH1 (0.56) CYP2C19CYP2D6POLBGABBR2GABBR1
SCHEMBL6344322 0.81 POLB (0.55) CYP2C9KMT2ACYP2C19MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103261-B1 Continuous extraction of polyphenylene sulfide PHILLIPS PETROLEUM CO (US) 1995-07-19 EP claimed
EP-0103261-A2 Continuous extraction of polyphenylene sulfide PHILLIPS PETROLEUM COMPANY (US) 1984-03-21 EP claimed
US-20230340026-A1 COMPOUNDS NEW PHARMA LICENCE HOLDINGS LTD (MT) 2023-10-26 US disclosed
US-20180030092-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2018-02-01 US disclosed
EP-3224273-A1 COMPOUNDS New Pharma Licence Holdings Limited (MT) 2017-10-04 EP disclosed
WO-2016083531-A1 COMPOUNDS NEW PHARMA LICENCE HOLDINGS LIMITED (MT) 2016-06-02 WO disclosed
CN-102060713-A Aromatic amine hapten for detecting azo dyes and preparation method thereof JIAXING ENTRY EXIT INSPECTION AND QUARANTINE BUREAU OF P R C 2011-05-18 CN disclosed
US-7402652-B2 Baclofen conjugate and a pharmaceutical composition for treatment of neuronal disorders MILLER LANDON C G 2008-07-22 US disclosed
US-20060058221-A1 Baclofen conjugate and a pharmaceutical composition for treatment of neuronal disorders MILLER LANDON C 2006-03-16 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 (2 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-20230340026-A1 COMPOUNDS BCAT1, BCAT2, CCNT1 CYP2C9 980/4885KMT2A 3019/4885CYP2C19 1733/4885
US-20180030092-A1 COMPOUNDS BCAT1, BCAT2, IL4I1 CYP2C9 643/4885KMT2A 3824/4885CYP2C19 1307/4885

“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.