SCHEMBL646972

SCHEMBL646972

Cc1ccc(CI)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
NFE2L2 Q16236 1/20 0.36
P2RX7 Q99572 1/20 0.36
ACHE P22303 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
HSP90B1 P14625 3/20 0.34
TRAP1 Q12931 3/20 0.34
HSP90AA1 P07900 2/20 0.34
PKM P14618 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KIF11 P52732 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
SCHEMBL17351794 0.82 P2RX7 (0.39) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL8574537 0.82 TAAR1 (0.42) TAAR1NFE2L2ACHECYP1A2CYP2A6
SCHEMBL13932536 0.81 AMY1A (0.42) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL18590775 0.81 TAAR1 (0.45) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL469174 0.79 P2RX7 (0.40) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL10285184 0.79 TAAR1 (0.39) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL14546346 0.78 TAAR1 (0.41) TAAR1ACHECYP1A2CYP2A6
SCHEMBL3318682 0.77 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL17351838 0.77 IDO1 (0.41) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL22754160 0.77 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2

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
WO-2024019957-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-01-25 WO disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-8481327-B2 Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings CHIRON AS (NO) 2013-07-09 US disclosed
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20110229973-A1 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2011-09-22 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
CN-101312957-A 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (ptpase) NOVARTIS AG (CH) 2008-11-26 CN disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
US-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CHIRON AS (NO) 2007-12-27 US disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2005077868-A2 CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF CHIRON AS (NO) 2005-08-25 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 (4 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR TAAR1 1255/4885NFE2L2 1890/4885P2RX7 2025/4885
US-20070298501-A1 Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof CBR1, CYP1A1, CYP1B1 TAAR1 863/4885NFE2L2 66/4885P2RX7 1741/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 TAAR1 1238/4885NFE2L2 1547/4885P2RX7 2795/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 TAAR1 3288/4885NFE2L2 1964/4885P2RX7 1928/4885

“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.