Sugi Predict

Sugi Predict / Compounds / SCHEMBL2268068

SCHEMBL2268068

SCHEMBL2268068

N[C@@H]([C]=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ IDO1 P14902 4/20 0.49
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2C19 P33261 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DPP4 P27487 3/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KCNJ1 P48048 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL26408 1.00 LOXL2 (0.53) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL26409 1.00 LOXL2 (0.53) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL10522155 0.80 TSHR (0.54) TSHRALDH1A1CYP2C19POLBLMNA
SCHEMBL10522164 0.80 TSHR (0.54) TSHRALDH1A1CYP2C19POLBLMNA
SCHEMBL17045236 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL8986807 0.78 LOXL2 (0.62) LOXL2IDO1KCNJ1KCNH2
SCHEMBL11601065 0.78 LOXL2 (0.62) LOXL2IDO1KCNJ1KCNH2
SCHEMBL11369488 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL3844658 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL17045214 0.78 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS VOYAGER PHARMACEUTICAL CORPORATION (US) 2011-08-11 — — US claimed
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists VOYAGER PHARMACEUTICAL CORPORATION 2008-07-17 — — US claimed
EP-1078002-B1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LAB (US) 2008-05-21 — — EP claimed
US-20050124548-A1 Peptide antiangiogenic drugs HENKIN JACK (US) 2005-06-09 — — US claimed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 — — US claimed
US-6753408-B1 DRUGS USED FOR THERAPY ABBVIE INC. 2004-06-22 — — US claimed
US-6716963-B1 OLIGOPEPTIDES ABBOTT LABORATORIES 2004-04-06 — — US claimed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 — — EP claimed
EP-1232183-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2002-08-21 — — EP claimed
WO-2001038347-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 — — WO claimed
EP-0301850-A2 LHRH antagonist analogs and 19-nor-progestational steroids for therapy SYNTEX (U.S.A.) INC. (US) 1989-02-01 — — EP claimed
EP-0097031-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1988-09-21 — — EP claimed
EP-0277829-A2 Nonapeptide and decapeptide analogs of LHRH as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1988-08-10 — — EP claimed
US-4690916-A ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT SYNTEX (U.S.A.) INC. (US) 1987-09-01 — — US claimed
EP-0111841-B1 LHRH PREPARATIONS FOR INTRANASAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1987-05-06 — — EP claimed
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 — — EP claimed
US-4481190-A LUTEINIZING HORMONE RELEASING HORMONE SYNTEX (U.S.A.) INC. (US) 1984-11-06 — — US claimed
EP-0111841-A1 LHRH preparations for intranasal administration SYNTEX (U.S.A.) INC. (US) 1984-06-27 — — EP claimed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 — — EP claimed
US-4108987-A DIGESTIVE AIDS FOR HERBIVOROUS ANIMALS MERCK & CO., INC. (US) 1978-08-22 — — US claimed

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-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS GNRHR, GRIN1, GRIN3A LOXL2 4664/4885IDO1 896/4885TSHR 342/4885
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists GNRHR, GRIN1, GRIN3A LOXL2 4664/4885IDO1 896/4885TSHR 342/4885
US-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 LOXL2 4547/4885IDO1 4057/4885TSHR 1417/4885

“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.