SCHEMBL4887738

SCHEMBL4887738

Fc1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
CYP19A1 P11511 4/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HPGD P15428 4/20 0.61
CYP1A1 P04798 2/20 0.59
F2 P00734 2/20 0.55
PPARG P37231 1/20 0.54
CYP2C19 P33261 2/20 0.50
PDPK1 O15530 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Methane SCHEMBL28844909 0.98 KDM4E (0.62) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL27944084 0.95 KDM4E (0.58) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL27954033 0.89 LMNA (0.55) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL30869753 0.89 CYP1A1 (0.68) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL3711446 0.85 NPC1 (0.63) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL31404848 0.85 NPC1 (0.63) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL10831846 0.83 CYP1A1 (0.61) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL29047385 0.82 CYP1A1 (0.60) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL12124985 0.82 NPC1 (0.75) KDM4ECYP19A1NPC1RAB9ALMNA
SCHEMBL28809806 0.81 NPC1 (0.58) KDM4ECYP19A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400518-B Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof 湘潭大学 2021-09-24 CN claimed
CN-115304533-B Bisindolemethane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-04-12 CN disclosed
CN-117567447-A Thiophene-containing bis-indolomethane type a-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-02-20 CN disclosed
CN-115304533-A Bis-indole methane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2022-11-08 CN disclosed
CN-110272370-B Synthesis method of trifluoromethyl substituted 3,3' -bis (2-phenylindolyl) methane compound 福州大学 2022-08-23 CN disclosed
CN-109400518-B Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof 湘潭大学 2021-09-24 CN disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO disclosed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP disclosed
US-4104268-A POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (2 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN KDM4E 3829/4885CYP19A1 1968/4885NPC1 1583/4885
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 KDM4E 756/4885CYP19A1 3073/4885NPC1 1944/4885

“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.