SCHEMBL433164

SCHEMBL433164

Fc1[c]ccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
AHR P35869 3/20 0.40
CYP1A2 P05177 2/20 0.39
BACE1 P56817 1/20 0.34
CNR1 P21554 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDK2 Q15119 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 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
SCHEMBL7861005 0.84
SCHEMBL533230 0.83 BCL2L1 (0.35) NPC1RAB9APDK2MAPTMAOB
SCHEMBL27338776 0.81 ALOX5 (0.40) ALOX5CYP1A2NPC1RAB9ALMNA
SCHEMBL546983 0.80
SCHEMBL28538724 0.80 ALOX5 (0.44) ALOX5BACE1NPC1RAB9ATP53
SCHEMBL6017910 0.79 MCL1 (0.39) CYP1A2PDK2MAPTCYP2C19MAOB
SCHEMBL1491004 0.79 ALDH1A1 (0.39) CYP2A6TDP2MEN1ALDH1A1MAPT
SCHEMBL694723 0.78 ALDH1A1 (0.41) ALOX5NPC1LMNACYP2A6HSD17B10
SCHEMBL435265 0.78 ALOX5 (0.45) ALOX5AHRCYP1A2BACE1CNR1
SCHEMBL5182079 0.78 AHR (0.40) AHRTP53TSHRHSD17B10ALDH1A1

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-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
EP-3386973-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-10-17 EP disclosed
WO-2017097927-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-06-15 WO disclosed
EP-2770831-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES E. I. Du Pont de Nemours and Company (US) 2014-09-03 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2013063282-A1 1,3-DIARYL-SUBSTITUTED HETEROCYCLIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-05-02 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US disclosed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US disclosed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 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 (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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R ALOX5 1075/4885AHR 155/4885CYP1A2 731/4885

“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.