SCHEMBL2148591

SCHEMBL2148591

NC(=O)Nc1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.56
GRIN2D O15399 2/20 0.56
GRIN3B O60391 2/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2A Q12879 2/20 0.56
GRIN2B Q13224 2/20 0.56
GRIN2C Q14957 2/20 0.56
GRIN3A Q8TCU5 2/20 0.56
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GRIK1 P39086 1/20 0.46
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3928666 0.85 GAA (0.67) GAAKDM4EMAPTGFERLMNA
SCHEMBL29840068 0.85 GAA (0.67) GAAKDM4EMAPTGFERLMNA
SCHEMBL2092372 0.82 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2092377 0.82 GRIK1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2315522 0.80 L3MBTL1 (0.59) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8332997 0.80 SIGMAR1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13186811 0.80 MEN1 (0.62) TP53MAPK1ALDH1A1POLBCYP1A2
SCHEMBL74521 0.80 ALDH1A1 (0.61) SIGMAR1KDM4EMAPK1HTTALDH1A1
SCHEMBL11430910 0.79 POLB (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6288808 0.78 HDAC3 (0.63) GRIK1MAPTTP53MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103221388-A Novel sulfonamide compounds for inhibition of metastatic tumor growth METASIGNAL THERAPEUTICS INC 2013-07-24 CN claimed
CN-110878035-B Method for preparing symmetrical urea compound 中国科学院化学研究所 2021-01-05 CN disclosed
EP-2948430-B1 PHENYLACETYLENES UNIV OREGON (US) 2020-05-20 EP disclosed
CN-110878035-A Method for preparing symmetrical urea compound 中国科学院化学研究所 2020-03-13 CN disclosed
US-9964531-B2 Phenylacetylenes UNIVERSITY OF OREGON (US) 2018-05-08 US disclosed
US-9964531-B2 Phenylacetylenes UNIVERSITY OF OREGON (US) 2018-05-08 US disclosed
CN-103221388-B For the novel sulfonamide compounds suppressing metastatic tumo(u)r to grow 维理生物技术公司 2016-09-28 CN disclosed
US-9353093-B2 Indole-1-carboxamides as kinase inhibitors ALLERGAN, INC. (US) 2016-05-31 US disclosed
US-9353093-B2 Indole-1-carboxamides as kinase inhibitors ALLERGAN, INC. (US) 2016-05-31 US disclosed
US-9353093-B2 Indole-1-carboxamides as kinase inhibitors ALLERGAN, INC. (US) 2016-05-31 US disclosed
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PFIZER INC. 2007-03-01 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PFIZER INC 2004-10-28 US disclosed
CN-1498212-A New spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors ��������ʲ��������ι�˾ 2004-05-19 CN disclosed
EP-1373224-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2004-01-02 EP disclosed
US-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC 2002-12-26 US disclosed
WO-2002076953-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-10-03 WO disclosed
WO-2002074754-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-09-26 WO 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-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A SIGMAR1 3442/4885GRIN2D 4181/4885GRIN3B 4450/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A SIGMAR1 3442/4885GRIN2D 4181/4885GRIN3B 4450/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 SIGMAR1 125/4885GRIN2D 304/4885GRIN3B 234/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 SIGMAR1 283/4885GRIN2D 265/4885GRIN3B 223/4885
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A SIGMAR1 3121/4885GRIN2D 4289/4885GRIN3B 4094/4885

“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.