SCHEMBL3144653

SCHEMBL3144653

O=C(Cl)Cl.c1ccc(C2CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
AKR1C1 Q04828 1/20 0.64
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SIGMAR1 Q99720 2/20 0.52
SLC18A3 Q16572 2/20 0.52
IDO1 P14902 1/20 0.49
GRIN2B Q13224 1/20 0.46
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DEGS1 O15121 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TRPA1 O75762 1/20 0.44
KMO O15229 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL8112349 0.91 AKR1C3 (0.55) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Bicarbonate SCHEMBL1720488 0.90 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Bicarbonate SCHEMBL7573346 0.90 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL11290635 0.89 KMO (0.58) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Hydrogen Peroxide SCHEMBL2353767 0.87 SLC18A3 (0.64) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL10892934 0.87 AKR1C3 (0.67) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL18601385 0.87 AKR1C3 (0.67) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Carbamic Acid SCHEMBL9679981 0.86 AKR1C3 (0.59) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Bicarbonate SCHEMBL7572186 0.86 AKR1C3 (0.70) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL41763 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-4415353-A A DICHLOROACETAMIDE AS PLANT SAFENING AGENT FOR THIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4415352-A N-FURYLMETHYL DICHLOROACETAMIDES AS PLANT SAFENING AGENTS FOR DITHIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4392884-A CONTAINING PLANT SAFENING AGENTS STAUFFER CHEMICAL COMPANY (US) 1983-07-12 US disclosed
US-4341550-A THIOLCARBAMATE WITH PLANT SAFENING AGENT STAUFFER CHEMICAL COMPANY (US) 1982-07-27 US disclosed
EP-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP disclosed
US-4276078-A HALOGENATED AMIDE ANTIDOTES FOR THIOCARBAMYL HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1981-06-30 US disclosed
US-4269618-A COMPRISING A THIOLCARBAMATE AND AN ANTIDOTE OF A HALOALKYLAMIDO COMPOUND; COATING CROP SEEDS; APPLYING TO THE SOIL STAUFFER CHEMICAL COMPANY (US) 1981-05-26 US disclosed
US-4137070-A CONTAINING HERBICIDAL ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1979-01-30 US disclosed
US-4124376-A HALOACETANILIDE HERBICIDE AND HALO-N,N-BISALKENYLAMIDE NONPHYTOTOXIC ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1978-11-07 US disclosed
US-4021224-A THIOCARBAMATE, WEED PEST CONTROL, ANTIDOTES STAUFFER CHEMICAL COMPANY (US) 1977-05-03 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 AKR1C3 2659/4885AKR1C1 3180/4885NPC1 1259/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 AKR1C3 2659/4885AKR1C1 3180/4885NPC1 1259/4885

“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.