Sugi Predict

Sugi Predict / Compounds / SCHEMBL1750941

SCHEMBL1750941

SCHEMBL1750941

Brc1ccc(C(c2ccccc2)(c2ccccc2)n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.58
▸ KCNA3 P22001 2/20 0.58
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX15B O15296 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ ADORA3 P0DMS8 3/20 0.33
▸ NR1I2 O75469 2/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ CCKBR P32239 2/20 0.33
▸ OPRK1 P41145 2/20 0.33

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
SCHEMBL2392374 0.89 KCNN4 (0.69) KCNN4KCNA3CYP11B1CYP11B2ALDH1A1
SCHEMBL2391892 0.83 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2MAPK1
SCHEMBL20772229 0.83 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2MAPK1
SCHEMBL2361042 0.83 KCNN4 (0.67) KCNN4KCNA3CYP11B1CYP11B2MAPK1
SCHEMBL2403558 0.83 KCNN4 (0.58) KCNN4KCNA3CYP11B1CYP11B2ALDH1A1
SCHEMBL19951665 0.80 KCNN4 (0.68) KCNN4KCNA3CYP11B1CYP11B2MAPK1
SCHEMBL11199996 0.79 KCNN4 (0.54) KCNN4KCNA3CYP11B1CYP11B2L3MBTL1
SCHEMBL9182074 0.79 KCNN4 (0.57) KCNN4KCNA3CYP11B1CYP11B2MAPK1
SCHEMBL11204373 0.75 KCNN4 (0.50) KCNN4KCNA3CYP11B1CYP11B2CYP3A4
SCHEMBL9181765 0.75 KCNN4 (0.50) KCNN4KCNA3CYP11B1CYP11B2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968579-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-06-28 — — US disclosed
CN-101365692-A Novel antifungal triazole derivatives DAE WOONG PHARMA (KR) 2009-02-11 — — CN disclosed
US-20080287440-A1 Novel Antifungal Triazole Derivatives DAEWOONG PHARMACEUTIDCAL CO., LTD. (KR) 2008-11-20 — — US disclosed
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 — — CN disclosed
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 — — CN disclosed
CN-1189162-A Triazole anti-fungal agents PFIZER RES & DEV (IE) 1998-07-29 — — CN disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — 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 (1 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-20080287440-A1 Novel Antifungal Triazole Derivatives CYP51A1, ERG28, CYP3A43 KCNN4 3840/4885KCNA3 2568/4885CYP11B1 38/4885

“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.