SCHEMBL3984430

SCHEMBL3984430

CSCc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IDO1 P14902 3/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CFTR P13569 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL11441775 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL21316578 0.80 IDO1 (0.53) SLC6A4IDO1CYP3A4CYP2D6
SCHEMBL1261721 0.79 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL8369193 0.79 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL3556000 0.77 IDO1 (0.44) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL20472319 0.76 HRH4 (0.46) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL7669263 0.76 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL14899798 0.76 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL27969183 0.76 IDO1 (0.43) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1
SCHEMBL8320254 0.76 IDO1 (0.43) SLC6A2SLC6A4SLC6A3IDO1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082793-A1 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY 2004-04-29 US claimed
EP-1368310-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. du Pont de Nemours and Company (US) 2003-12-10 EP claimed
WO-2002072540-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-19 WO claimed
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP disclosed
EP-1700845-B1 Insecticidal anthranilamides DU PONT (US) 2008-12-10 EP disclosed
US-7338978-B2 Insecticidal anthranilamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-04 US disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed
EP-1265850-B1 INSECTICIDAL ANTHRANILAMIDES DU PONT (US) 2007-01-03 EP disclosed
US-7145035-B2 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-05 US disclosed
EP-1700845-A1 Insecticidal anthranilamides E.I.Du pont de nemours and company (US) 2006-09-13 EP disclosed
US-6747047-B2 ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY 2004-06-08 US disclosed
US-20040082793-A1 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY 2004-04-29 US disclosed
US-20030229050-A1 Insecticidal anthranilamides FMC CORPORATION 2003-12-11 US disclosed
EP-1368310-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. du Pont de Nemours and Company (US) 2003-12-10 EP disclosed
EP-1341772-A2 QUINAZOLINONES AND PYRIDINYLPYRIMIDINONES FOR CONTROLLING INVERTEBRATE PESTS E. I. du Pont de Nemours and Company (US) 2003-09-10 EP disclosed
WO-2002072540-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-19 WO disclosed
WO-2002048115-A2 QUINAZOLINONES AND PYRIDINOPYRIMIDINONES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-20 WO disclosed
US-4031227-A CNS DEPRESSANT AGENTS, SLEEP INDUCERS, TRANQUILIZERS SANDOZ, INC. (US) 1977-06-21 US disclosed
US-4006183-A CNS DEPRESSANT SANDOZ, INC. (US) 1977-02-01 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-20030229050-A1 Insecticidal anthranilamides ANTXR2, NIT2, CYB5R3 SLC6A2 4274/4885SLC6A4 4604/4885SLC6A3 4709/4885
US-20040082793-A1 Methods of ortho alkylation CBR1, AOC2, CBR3 SLC6A2 3046/4885SLC6A4 4171/4885SLC6A3 2587/4885

“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.