SCHEMBL643163

SCHEMBL643163

Cc1c(I)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
HIF1A Q16665 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
KCNN4 O15554 1/20 0.30
NR1I2 O75469 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
TRPM2 O94759 1/20 0.30
ABCB11 O95342 1/20 0.30
EGFR P00533 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10439558 0.81 CYP1A2 (0.44) CYP11B1CYP11B2CYP1A2CYP2D6HIF1A
SCHEMBL643809 0.79 CYP11B1 (0.37) CYP11B1CYP11B2CYP1A2CYP2D6HIF1A
SCHEMBL3855448 0.77 NSD3 (0.38) CYP11B1CYP11B2ALDH1A1HPGDKMT2A
SCHEMBL7310245 0.75 CYP11B1 (0.34) CYP11B1CYP11B2CYP1A2CYP2D6HIF1A
SCHEMBL12907351 0.75 CYP3A4 (0.36) CYP11B1CYP11B2CYP1A2CYP2D6HIF1A
SCHEMBL312495 0.75 KDM4C (0.39) CYP11B1CYP11B2ALDH1A1KMT2AMEN1
SCHEMBL9585649 0.75 TAAR1 (0.35) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL846 0.75 CYP11B1 (0.34) CYP11B1CYP11B2CYP1A2CYP2D6HIF1A
SCHEMBL923644 0.73 LMNA (0.37) CYP11B1CYP11B2CYP1A2ALDH1A1HPGD
SCHEMBL12907335 0.73 CYP11B1 (0.37) CYP11B1CYP11B2CYP1A2CYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890139-B2 CYP17 inhibitors/antiandrogens ORION CORPORATION (FI) 2018-02-13 US disclosed
US-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS ORION CORPORATION (FI) 2016-05-12 US disclosed
EP-3008042-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS Orion Corporation (FI) 2016-04-20 EP disclosed
WO-2014202827-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS ORION CORPORATION (FI) 2014-12-24 WO disclosed
US-8258167-B2 Naphthylmethylimidizoles as therapeutic agents ALLERGAN, INC (US) 2012-09-04 US disclosed
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
US-8013169-B2 Naphthylmethylimidizoles as therapeutic agents ALLERGAN, INC (US) 2011-09-06 US disclosed
EP-2296655-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP disclosed
EP-2296648-A1 NAPHTHYLMETHYLIMIDIZOLES FOR THE TREATMENT OF STRESS URINARY INCONTINENCE Allergan, Inc. (US) 2011-03-23 EP disclosed
US-7868020-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2011-01-11 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 WO disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US 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 (4 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD CYP11B1 262/4885CYP11B2 376/4885CYP1A2 383/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL CYP11B1 98/4885CYP11B2 117/4885CYP1A2 146/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI CYP11B1 207/4885CYP11B2 320/4885CYP1A2 398/4885
US-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS CYP17A1, CYP19A1, CYP21A2 CYP11B1 6/4885CYP11B2 9/4885CYP1A2 29/4885

“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.