Sugi Predict

Sugi Predict / Compounds / SCHEMBL16018346

SCHEMBL16018346

SCHEMBL16018346

Cc1ccc(C)n1CC[C@H](O)CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL16018353 0.78 KDM4E (0.39) THRBALDH1A1LMNAKDM4ECYP1A2
SCHEMBL21550306 0.78 KDM4E (0.39) THRBALDH1A1LMNAKDM4ECYP1A2
SCHEMBL15498265 0.78 KDM4E (0.39) THRBALDH1A1LMNAKDM4ECYP1A2
SCHEMBL13413736 0.71 THRB (0.42) THRBALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL9772348 0.71 PRKCI (0.45) THRBALDH1A1LMNAKDM4EMAPT
SCHEMBL16018360 0.71 THRB (0.37) THRBALDH1A1LMNAKDM4ECYP1A2
SCHEMBL11489950 0.64 ALDH1A1 (0.43) THRBALDH1A1LMNAKDM4EMAPT
SCHEMBL11695516 0.64 THRB (0.34) THRBAPEX1
SCHEMBL6528131 0.64 KDM4E (0.44) THRBALDH1A1KDM4EMAPTMEN1
SCHEMBL14830413 0.64 CHRM1 (0.45) THRBALDH1A1LMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2019-01-01 — — US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 — — US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 — — US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 — — US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 — — US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 — — US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 — — US disclosed
US-9416106-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2016-08-16 — — US disclosed
US-9416106-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2016-08-16 — — US disclosed
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2015-12-24 — — US disclosed
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2015-12-24 — — US disclosed
US-9120750-B2 2-Aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2015-09-01 — — US disclosed
US-9120750-B2 2-Aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2015-09-01 — — US disclosed
WO-2014138460-A1 2-AMINOPYRIDINE-BASED SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2014-09-12 — — WO disclosed
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-09-11 — — US disclosed
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-09-11 — — 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 (5 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-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 THRB 2167/4885ALDH1A1 749/4885LMNA 4463/4885
US-20140256016-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 THRB 2167/4885ALDH1A1 749/4885LMNA 4463/4885
US-20150368201-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 THRB 2167/4885ALDH1A1 749/4885LMNA 4463/4885
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 THRB 2167/4885ALDH1A1 749/4885LMNA 4463/4885
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 THRB 2167/4885ALDH1A1 749/4885LMNA 4463/4885

“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.