SCHEMBL983017

SCHEMBL983017

C(#Cc1cccc(C#CNc2ccccc2)n1)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.45
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRM1 Q13255 1/20 0.40

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
SCHEMBL1922270 0.74 ALDH1A1 (0.50) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL929237 0.73 APP (0.52) GRM5RAB9AMEN1KMT2AALDH1A1
SCHEMBL3449895 0.71 ALDH1A1 (0.44) GRM5RAB9AMEN1KMT2AALDH1A1
SCHEMBL3150956 0.70 HSD17B10 (0.40) GRM5RAB9AMEN1KMT2AALDH1A1
SCHEMBL29429053 0.70 APP (0.55) GRM5RAB9AMEN1KMT2AALDH1A1
SCHEMBL31026477 0.67 APP (0.34) GRM5RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL31026479 0.67 ALDH1A1 (0.46) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL3447266 0.67 ALDH1A1 (0.46) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL3448582 0.66 ASIC3 (0.44) GRM5RAB9AMEN1KMT2AALDH1A1
SCHEMBL3840989 0.66 CYP2A6 (0.49) GRM5RAB9ANPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11187690-B2 Synthetic receptors for hydrosulfide UNIVERSITY OF OREGON (US) 2021-11-30 US disclosed
US-11021447-B2 Fluorescent halogen bonding arylethynyl scaffolds for anion recognition UNIVERSITY OF OREGON (US) 2021-06-01 US disclosed
EP-2948430-B1 PHENYLACETYLENES UNIV OREGON (US) 2020-05-20 EP disclosed
US-20190345113-A1 FLUORESCENT HALOGEN BONDING ARYLETHYNYL SCAFFOLDS FOR ANION RECOGNITION UNIVERSITY OF OREGON (US) 2019-11-14 US disclosed
US-9964531-B2 Phenylacetylenes UNIVERSITY OF OREGON (US) 2018-05-08 US disclosed
US-20170350870-A1 SYNTHETIC RECEPTORS FOR HYDROSULFIDE UNIVERSITY OF OREGON (US) 2017-12-07 US disclosed
US-20150355153-A1 PHENYLACETYLENES UNIVERSITY OF OREGON (US) 2015-12-10 US disclosed
EP-2948430-A1 PHENYLACETYLENES University Of Oregon (US) 2015-12-02 EP disclosed
US-8841460-B2 Tunable phenylacetylene hosts STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-09-23 US disclosed
WO-2014116578-A1 PHENYLACETYLENES STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-07-31 WO disclosed
US-20140031559-A1 TUNABLE PHENYLACETYLENE HOSTS State of Oregon, acting by and through the State Board of Higher Education on Behalf of University (US) 2014-01-30 US disclosed
US-20110015396-A1 TUNABLE PHENYLACETYLENE HOSTS THE STATE OF OREGON ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2011-01-20 US disclosed
US-7803946-B2 Tunable phenylacetylene hosts UNIVERSITY OF OREGON 2010-09-28 US disclosed
US-20080167472-A1 TUNABLE PHENYLACETYLENE HOSTS STATE OF OREGON ACTING BY AND THROUGH THE STATE 2008-07-10 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 (8 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-11187690-B2 Synthetic receptors for hydrosulfide OR10J3, OXSR1, HCAR3 GRM5 379/4885RAB9A 1172/4885MEN1 4731/4885
US-20170350870-A1 SYNTHETIC RECEPTORS FOR HYDROSULFIDE OR10J3, OXSR1, HCAR3 GRM5 379/4885RAB9A 1172/4885MEN1 4731/4885
US-20150355153-A1 PHENYLACETYLENES HDAC10, H1-10, H1-0 GRM5 4345/4885RAB9A 1507/4885MEN1 3213/4885
US-20190345113-A1 FLUORESCENT HALOGEN BONDING ARYLETHYNYL SCAFFOLDS FOR ANION RECOGNITION NAA10, SCN10A, NAT10 GRM5 3014/4885RAB9A 1402/4885MEN1 4548/4885
US-20140031559-A1 TUNABLE PHENYLACETYLENE HOSTS NAA10, OR10J3, CBR3 GRM5 1940/4885RAB9A 1197/4885MEN1 4356/4885
US-20110015396-A1 TUNABLE PHENYLACETYLENE HOSTS AADAC, PML, AHR GRM5 3139/4885RAB9A 2568/4885MEN1 4278/4885
US-20080167472-A1 TUNABLE PHENYLACETYLENE HOSTS AADAC, PML, AHR GRM5 3139/4885RAB9A 2568/4885MEN1 4278/4885
US-11021447-B2 Fluorescent halogen bonding arylethynyl scaffolds for anion recognition NAA10, SCN10A, NAT10 GRM5 3014/4885RAB9A 1402/4885MEN1 4548/4885

“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.