SCHEMBL8327255

SCHEMBL8327255

O=[N+]([O-])c1cccc(Cl)c1SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 1/20 0.48
EGFR P00533 1/20 0.47
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 4/20 0.43
CTSB P07858 1/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
PIN1 Q13526 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL30111052 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4EEGFR
SCHEMBL30908664 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1EGFRGSTP1
SCHEMBL30908161 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1EGFRGSTP1
SCHEMBL11206055 0.80 APEX1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL8324741 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL9087640 0.79 TSHR (0.51) MEN1KMT2AALDH1A1KDM4EEGFR
SCHEMBL11416919 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1EGFRGSTP1
SCHEMBL8373223 0.78 PIN1 (0.44) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL31120601 0.78 MEN1 (0.57) MEN1KMT2AALDH1A1KDM4EEGFR
SCHEMBL8462873 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872300-A Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfanes, and 2-amino-6-chlorophenyl-isopropylsulfane BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US claimed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US claimed
EP-0775693-A1 Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfides and 2-amino-6-chlorophenyl-isopropylsulfide BAYER AG (DE) 1997-05-28 EP claimed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-0711754-B1 Process for preparing 2-chloro-6-nitrophenylalkylsulfides as well as novel 2-chloro-6-nitrophenyl alkylsulfides BAYER AG (DE) 1999-03-10 EP disclosed
US-5872300-A Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfanes, and 2-amino-6-chlorophenyl-isopropylsulfane BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US disclosed
US-5650542-A Process for the preparation of 2-chloro-6-nitrophenyl alkyl sulphides and novel 2-chloro-6-nitrophenyl alkyl sulphides BAYER AKTIENGESELLSCHAFT (DE) 1997-07-22 US disclosed
EP-0775693-A1 Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfides and 2-amino-6-chlorophenyl-isopropylsulfide BAYER AG (DE) 1997-05-28 EP disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US disclosed
EP-0711754-A1 Process for preparing 2-chloro-6-nitrophenylalkylsulfides as well as novel 2-chloro-6-nitrophenyl alkylsulfides BAYER AG (DE) 1996-05-15 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 (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-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 MEN1 3025/4885KMT2A 1019/4885ALDH1A1 3565/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD MEN1 4860/4885KMT2A 2222/4885ALDH1A1 3192/4885

“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.