SCHEMBL3447441

SCHEMBL3447441

Cn1ccc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.53
▸ KCNH2 Q12809 1/20 0.51
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HSP90AA1 P07900 2/20 0.46
▸ HSP90AB1 P08238 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CRHR1 P34998 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.41
▸ AHR P35869 1/20 0.41

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
SCHEMBL1104981 0.80 IDO1 (0.50) HSD11B1KCNH2NPC1RAB9AMAPT
SCHEMBL3759812 0.80 LMNA (0.45) HSD11B1HSP90AA1HSP90AB1LMNAMAPT
SCHEMBL366947 0.79 IDO1 (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL14399711 0.79 IDO1 (0.49) KCNH2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9383732 0.77 KMT2A (0.53) HSD11B1NPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL18713550 0.76 KMT2A (0.37) HSD11B1KCNH2NPC1RAB9AHSP90AA1
SCHEMBL14371220 0.76 NPC1 (0.45) KCNH2NPC1RAB9ALMNAMAPT
SCHEMBL14996550 0.75 HSD11B1 (0.54) HSD11B1KCNH2NPC1HSP90AA1HSP90AB1
SCHEMBL25263600 0.75 SCN9A (0.48) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL2751070 0.74 HSD11B1 (0.49) HSD11B1NPC1HSP90AA1HSP90AB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 — — US disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 — — US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 — — US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 — — US disclosed
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 — — US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 — — EP disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 — — US disclosed
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 — — US disclosed
CN-1152305-A Substituted 3-phenylpyrazoles as herbicides BASF AG (DE) 1997-06-18 — — CN disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 — — EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 — — WO disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 — — 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 (3 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 HSD11B1 2575/4885KCNH2 3747/4885NPC1 634/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 HSD11B1 2168/4885KCNH2 4297/4885NPC1 1539/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT HSD11B1 244/4885KCNH2 2840/4885NPC1 1402/4885

“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.

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