SCHEMBL6299379

SCHEMBL6299379

COC(=O)/C(=C/c1ccccc1)CBr

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1C3 P42330 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MME P08473 2/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6299383 1.00 RECQL (0.53) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL6299382 1.00 RECQL (0.53) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL6740629 0.85 KMT2A (0.51) RECQLMEN1KMT2ANPC1RAB9A
SCHEMBL6741190 0.85 KMT2A (0.51) RECQLMEN1KMT2ANPC1RAB9A
SCHEMBL6740625 0.85 KMT2A (0.51) RECQLMEN1KMT2ANPC1RAB9A
SCHEMBL16449689 0.84 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL5284839 0.84 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL6307440 0.84 RECQL (0.54) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL1915837 0.84 RECQL (0.69) RECQLMEN1KMT2AAKR1C3CYP3A4
SCHEMBL1915838 0.84 RECQL (0.69) RECQLMEN1KMT2AAKR1C3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
WO-2020102100-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
US-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
US-6906085-B2 Tetrahydropyran derivatives as neurokinin receptor antagonists MERCK SHARP & DOHME LTD. 2005-06-14 US disclosed
US-20040063974-A1 Tetrahydropyran derivatives as neurokinin receptor antagonists MERCK SHARP & DOHME, LTD. (GB) 2004-04-01 US disclosed
EP-1377565-A1 TETRAHYDROPYRAN DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2004-01-07 EP disclosed
WO-2002057250-A1 TETRAHYDROPYRAN DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2002-07-25 WO disclosed
US-5981558-A ANTIMICROBIAL ACTIVITY AND ANTITUMOR ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-11-09 US disclosed
EP-0918058-A1 DC 107 DERIVATIVES (1) KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-05-26 EP disclosed
WO-1993007886-A1 PHARMACEUTICAL COMPOSITION CONTAINING CERTAIN PEPTIDOMIMETIC COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-29 WO disclosed
WO-1993002667-A1 PHARMACEUTICAL COMPOSITION ABBOTT LABORATORIES (US) 1993-02-18 WO disclosed
US-5182266-A Method for treating renal disease ABBOTT LABORATORIES (US) 1993-01-26 US disclosed
US-5178877-A Cardiovascular disorders ABBOTT LABORATORIES (US) 1993-01-12 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
US-5122514-A Administering renin inhibitor ABBOTT LABORATORIES (US) 1992-06-16 US disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP disclosed
WO-1991016031-A1 PSORIASIS TREATMENT ABBOTT LABORATORIES (US) 1991-10-31 WO disclosed
EP-0440102-A1 Method for treating renal disease ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 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-20040063974-A1 Tetrahydropyran derivatives as neurokinin receptor antagonists NPSR1, OPRK1, CCKAR RECQL 1753/4885MEN1 1138/4885KMT2A 2741/4885

“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.