Sugi Predict

Sugi Predict / Compounds / SCHEMBL6760657

SCHEMBL6760657

SCHEMBL6760657

c1ccc(CCn2ccnn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.67
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.41
▸ ATP4A P20648 1/20 0.40
▸ ATP4B P51164 1/20 0.40
▸ PADI4 Q9UM07 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3113486 0.89 CYP19A1 (0.62) CYP19A1ATP4AATP4BGSK3AGSK3B
SCHEMBL6760653 0.87 CYP19A1 (0.61) CYP19A1ATP4AATP4BGSK3AGSK3B
SCHEMBL30168324 0.86 CYP19A1 (0.59) CYP19A1ATP4AATP4BGSK3AGSK3B
SCHEMBL15051376 0.81 GFER (0.45) CYP19A1NPC1RAB9A
SCHEMBL155247 0.80 CYP19A1 (1.00) CYP19A1MAPTCYP1A1
SCHEMBL17300465 0.80 HRH3 (0.50) CYP19A1HRH3
Hydrochloric Acid SCHEMBL7263772 0.78 CYP19A1 (0.96) CYP19A1MAPTCYP1A1
SCHEMBL930156 0.78 CYP19A1 (0.57) CYP19A1CYP1A1ATP4AATP4BPADI4
SCHEMBL6580252 0.76 HMOX1 (0.54) CYP19A1NPC1MAPTRAB9AATP4A
SCHEMBL6582554 0.75 HMOX1 (0.53) CYP19A1NPC1MAPTRAB9AATP4A

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
EP-0842158-A1 MICROBICIDAL 2-PHENYLETHYL-MERCAPTO-TRIAZOLES BAYER AG (DE) 1998-05-20 — — EP claimed
WO-1997005119-A1 MICROBICIDAL 2-PHENYLETHYL-MERCAPTO-TRIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 — — WO claimed
EP-0000017-B1 1-(2-PHENYLETHYL)-TRIAZOLIUM SALTS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-09-30 — — EP claimed
CN-116444380-B Method for realizing amino derivative alkylation by utilizing micro-flow field technology 南京工业大学 2024-09-17 — — CN disclosed
CN-116444380-A Method for realizing amino derivative alkylation by utilizing micro-flow field technology 南京工业大学 2023-07-18 — — CN disclosed
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 — — CN disclosed
CN-103717578-B Fungicidal substituted 1- {2- [ 2-halo-4- (4-halophenoxy) phenyl ] -2-ethoxyethyl } -1H- [1,2,4] triazole compounds 巴斯夫欧洲公司 2016-12-21 — — CN disclosed
EP-2744793-B1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ETHOXY-ETHYL}-1H- [1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2015-10-14 — — EP disclosed
EP-2744793-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ETHOXY-ETHYL}-1H- [1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2014-06-25 — — EP disclosed
US-20140162876-A1 Fungicidal substituted 1--1H-[1,2,4]triazole compounds BASF SE (DE) 2014-06-12 — — US disclosed
CN-103717578-A Fungicidal substituted 1- {2- [ 2-halo-4- (4-halophenoxy) phenyl ] -2-ethoxyethyl } -1H- [1,2,4] triazole compounds BASF SE 2014-04-09 — — CN disclosed
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 — — US disclosed
US-6743924-B2 EFFICIENT, HIGH YEILD SYNTHESIS OF TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-01 — — US disclosed
EP-1310491-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-1,2,3-TRIAZOLE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-05-14 — — EP disclosed
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-10 — — US disclosed
EP-0842158-A1 MICROBICIDAL 2-PHENYLETHYL-MERCAPTO-TRIAZOLES BAYER AG (DE) 1998-05-20 — — EP disclosed
WO-1997005119-A1 MICROBICIDAL 2-PHENYLETHYL-MERCAPTO-TRIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 — — WO disclosed
EP-0000017-B1 1-(2-PHENYLETHYL)-TRIAZOLIUM SALTS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-09-30 — — EP disclosed
EP-0000017-A1 1-(2-Phenylethyl)-triazolium salts, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 — — EP disclosed
EP-0000017-A1 1-(2-Phenylethyl)-triazolium salts, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 — — EP 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-20140162876-A1 Fungicidal substituted 1--1H-[1,2,4]triazole compounds CYP51A1, CYP1B1, CYP1A1 CYP19A1 391/4885NPC1 603/4885MAPT 1970/4885
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives ABL1, ROS1, ADH1A CYP19A1 647/4885NPC1 4224/4885MAPT 2311/4885
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative ABL1, YES1, MAP3K1 CYP19A1 686/4885NPC1 4265/4885MAPT 2295/4885

“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.