Sugi Predict

Sugi Predict / Compounds / SCHEMBL2125950

SCHEMBL2125950

SCHEMBL2125950

O=C(O)c1c[nH]c2cc[c]cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 1/20 0.50
▸ F3 P13726 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.45
▸ GPR84 Q9NQS5 1/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PRKAB2 O43741 2/20 0.40
▸ PRKAG1 P54619 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAA1 Q13131 2/20 0.40
▸ PRKAG3 Q9UGI9 2/20 0.40
▸ PRKAG2 Q9UGJ0 2/20 0.40
▸ PRKAB1 Q9Y478 2/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 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
SCHEMBL3482994 0.86 PBRM1 (0.59) F7F3KDM4EGPR84HSD17B10
SCHEMBL1202423 0.86 ALDH1A1 (0.59) F7F3KDM4EGPR84CYP1A2
SCHEMBL20562057 0.85 F7 (0.46) F7F3KDM4EGPR84CYP1A2
SCHEMBL6389670 0.82 RAB9A (0.43) GPR84CYP1A2ALDH1A1PBRM1ADAM17
SCHEMBL6388444 0.82 KMT2A (0.48) F7F3KDM4EGPR84CYP1A2
SCHEMBL478847 0.76 KDM4E (0.52) KDM4EHSD17B10ALDH1A1MEN1HPGD
SCHEMBL7650087 0.73 MEN1 (0.48) CYP1A2ALDH1A1PBRM1MEN1KMT2A
SCHEMBL7650090 0.73 MEN1 (0.48) CYP1A2ALDH1A1PBRM1MEN1KMT2A
SCHEMBL64182 0.72 GPR84 (0.77) KDM4EGPR84ALDH1A1PBRM1ATM
SCHEMBL1202295 0.71 ALDH1A1 (0.59) F7F3GPR84ALDH1A1PBRM1

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-8846661-B2 Diazahomoadamantane derivatives and methods of use thereof ABBVIE INC. (US) 2014-09-30 — — US disclosed
EP-2443122-B1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-05 — — EP disclosed
EP-2443122-A1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-04-25 — — EP disclosed
US-20100324027-A1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-23 — — US disclosed
WO-2010145208-A1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-12-23 — — WO disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 — — US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 — — 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 (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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS F7 2465/4885F3 699/4885KDM4E 2209/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS F7 2772/4885F3 832/4885KDM4E 2133/4885
US-20100324027-A1 DIAZAHOMOADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF DDT, NISCH, OGA F7 3509/4885F3 4125/4885KDM4E 854/4885

“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.