SCHEMBL3240933

SCHEMBL3240933

Clc1ccccc1-c1[c]c2ccccc2cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
BACE1 P56817 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL16697744 0.79 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL239122 0.79 CYP2A6 (0.37) CYP2A6CYP1A2HPGDALDH1A1TDP1
SCHEMBL3249728 0.77 ALDH1A1 (0.34) CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL668159 0.77 ALDH1A1 (0.41) CYP2A6CYP1A2SMN1; SMN2TP53HPGD
SCHEMBL667984 0.77 ALDH1A1 (0.34) CYP2A6RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL4609078 0.77 MAPK1 (0.39) CYP2A6RAB9ASMN1; SMN2TP53HPGD
SCHEMBL10501303 0.77 ALDH1A1 (0.39) CYP1A2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3246275 0.77 NPC1 (0.37) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20774242 0.74 HPRT1 (0.50) CYP2A6CYP1A2TP53HPGDALDH1A1
SCHEMBL668632 0.74 ALDH1A1 (0.38) CYP2A6CYP1A2SMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101977883-A Process for production of 2-hydroxyaryl aldehyde compound NISSAN CHEMICAL IND LTD 2011-02-16 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-6066672-A OF GIVEN FORMULA COMPRISING A SUBSTITUTED AMINOALKYL(AMIDO OR ALKYLAMINO)ALKYL(AMIDO OR ALKYLAMINO)ALKYL(ALKENE, ALKYL OR ALKOXYCARBONYL) TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-05-23 US disclosed
EP-0882699-A1 AMINO COMPOUNDS AND ANGIOTENSIN IV RECEPTOR AGONISTS TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-12-09 EP disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
US-4992464-A Bronchodilator, antiinflammatory, antiarthritic, antiallergenic agents ABBOTT LABORATORIES (US) 1991-02-12 US disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed
US-4895587-A Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1990-01-23 US disclosed
EP-0229290-A2 Stabilized thermoplastic moulding compositions based on ABS polymers and acryl phosphanoxides BAYER AG (DE) 1987-07-22 EP disclosed
EP-0206251-A1 Haloacetamide compounds, process for production thereof, and use thereof as herbicide TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-12-30 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CYP2A6 2385/4885CYP1A2 1561/4885NPC1 359/4885

“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.