Sugi Predict

Sugi Predict / Compounds / SCHEMBL691038

SCHEMBL691038

SCHEMBL691038

N#Cc1ccc(C(Cl)c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ TSHR P16473 3/20 0.43
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ LMNA P02545 1/20 0.39

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
SCHEMBL2518114 0.91 MAOA (0.55) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9161512 0.91 TSHR (0.54) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9161623 0.89 ALDH1A1 (0.67) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9161559 0.89 MAOB (0.53) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL2515975 0.89 CYP19A1 (0.40) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL1342407 0.84 CYP19A1 (0.47) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9165325 0.84 MAOA (0.49) CYP19A1ALDH1A1CA12CA2CA9
SCHEMBL9913645 0.84 CYP19A1 (0.37) CYP19A1CYP2A6ALDH1A1CA12CA2
Chloroform SCHEMBL28563775 0.83 CA2 (0.55) CYP19A1CYP2A6ALDH1A1CA12CA2
SCHEMBL9167168 0.82 CYP19A1 (0.36) CYP19A1CYP2A6ALDH1A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108538606-B Solid electrolyte of dye-sensitized solar cell and preparation method thereof 西安智财全技术转移中心有限公司 2020-06-16 — — CN claimed
US-20070112202-A1 Letrozole production process CHEMAGIS LTD. (IL) 2007-05-17 — — US claimed
CN-108538606-B Solid electrolyte of dye-sensitized solar cell and preparation method thereof 西安智财全技术转移中心有限公司 2020-06-16 — — CN disclosed
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 — — US disclosed
EP-2212301-B1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD (IN) 2012-02-29 — — EP disclosed
US-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS TRAGARA PHARMACEUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 — — US disclosed
EP-0236940-B3 Alpha-heterocycle substituted tolunitriles NOVARTIS AG (CH) 2011-03-23 — — EP disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 — — US disclosed
EP-2212301-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES Fresenius Kabi Oncology Limited (IN) 2010-08-04 — — EP disclosed
WO-2009069140-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES DABUR PHARMA LIMITED (IN) 2009-06-04 — — WO disclosed
US-5473078-A Aromatase inhibiting compounds CIBA-GEIGY CORPORATION (US) 1995-12-05 — — US disclosed
US-5352795-A Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide CIBA-GEIGY CORPORATION (US) 1994-10-04 — — US disclosed
EP-0236940-B1 ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES CIBA-GEIGY AG (CH) 1993-09-22 — — EP disclosed
US-5112845-A Inhibitors of estrogen synthesis, veterinary medicine CIBA-GEIGY CORPORATION (US) 1992-05-12 — — US disclosed
US-5071861-A Aromatase enzyme inhibitor; antiestrogens CIBA-GEIGY CORPORATION (US) 1991-12-10 — — US disclosed
US-4978672-A Alpha-heterocyclc substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1990-12-18 — — US disclosed
US-4937250-A AROMATASE ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1990-06-26 — — US disclosed
US-4749713-A Alpha-heterocycle substituted tolunitriles CIBA-GEIGY CORPORATION (US) 1988-06-07 — — US disclosed
EP-0236940-A2 Alpha-heterocycle substituted tolunitriles CIBA-GEIGY AG (CH) 1987-09-16 — — 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-20120015919-A1 THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS PTGER2, PTGES2, PTGS2 CYP19A1 9/4885CYP2A6 119/4885ALDH1A1 590/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 CYP19A1 1/4885CYP2A6 36/4885ALDH1A1 517/4885
US-20070112202-A1 Letrozole production process CYP19A1, CDK14, CDK19 CYP19A1 1/4885CYP2A6 125/4885ALDH1A1 4108/4885

“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.