Sugi Predict

Sugi Predict / Compounds / SCHEMBL5809000

SCHEMBL5809000

SCHEMBL5809000

COc1ccc(NN)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.54
▸ GAA P10253 1/20 0.54
▸ NPC1 O15118 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ HTT P42858 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GRM4 Q14833 1/20 0.48
▸ EPHB4 P54760 1/20 0.47
▸ ACHE P22303 1/20 0.46

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
Bromide SCHEMBL20984140 0.98 MAPT (0.53) MAPTGAANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4073968 0.98 NPC1 (0.55) MAPTGAANPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL28373448 0.90 ALDH1A1 (0.57) MAPTNPC1RAB9ASMN1; SMN2HPGD
Sulfuric Acid SCHEMBL20984398 0.90 SMN1; SMN2 (0.51) MAPTNPC1RAB9ASMN1; SMN2HPGD
Phosphoric Acid SCHEMBL28886773 0.90 SMN1; SMN2 (0.54) MAPTGAANPC1RAB9ASMN1; SMN2
Nitric Acid SCHEMBL28381027 0.87 ALDH1A1 (0.54) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL4133738 0.84 NPC1 (0.48) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL8322708 0.83 MAPT (0.57) MAPTGAANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL20984091 0.82 NPC1 (0.47) MAPTGAANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL3661738 0.82 NPC1 (0.47) MAPTGAANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 — — US disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 — — US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 — — US disclosed
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 — — CN disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 — — US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 — — US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 — — WO disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 — — WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 — — US disclosed
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 — — EP disclosed
CN-1067685-C Pyridazinoquinoline compounds ZENECA LTD (GB) 2001-06-27 — — CN disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 — — US disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 — — US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 — — EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 — — EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 — — US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 — — EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 — — EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 — — WO disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 — — 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 (6 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 MAPT 1939/4885GAA 679/4885NPC1 2259/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 MAPT 1939/4885GAA 679/4885NPC1 2259/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MAPT 4401/4885GAA 4290/4885NPC1 3444/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 MAPT 3076/4885GAA 3213/4885NPC1 1470/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 MAPT 1939/4885GAA 679/4885NPC1 2259/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 MAPT 1939/4885GAA 679/4885NPC1 2259/4885

“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.