SCHEMBL12569874

SCHEMBL12569874

CC(=O)/C=C/c1ccccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ LMNA P02545 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.58
▸ IAPP P10997 2/20 0.55
▸ GLA P06280 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KMT2A Q03164 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NFE2L2 Q16236 3/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ JUN P05412 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TFEB P19484 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ HSD11B1 P28845 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
SCHEMBL31310317 1.00 MAPT (0.63) MAPTLMNAKDM4EIAPPGLA
SCHEMBL14441077 0.85 MAPT (0.76) MAPTLMNAKDM4EIAPPGLA
SCHEMBL181650 0.83 NFE2L2 (0.61) MAPTLMNAKDM4ETDP1ATM
SCHEMBL1000978 0.82 NFKB1 (0.62) MAPTLMNAKDM4ENFE2L2NFKB1
SCHEMBL30686188 0.82 NFKB1 (0.62) MAPTLMNAKDM4ENFE2L2NFKB1
SCHEMBL27515562 0.82 PTPN1 (0.45) MAPTLMNAKDM4ENFE2L2NFKB1
SCHEMBL29913492 0.82 PTPN1 (0.45) MAPTLMNAKDM4ENFE2L2NFKB1
SCHEMBL15941356 0.82 PTPN1 (0.45) MAPTLMNAKDM4ENFE2L2NFKB1
SCHEMBL613719 0.82 NFKB1 (0.62) MAPTLMNAKDM4ENFE2L2NFKB1
SCHEMBL613718 0.82 NFKB1 (0.62) MAPTLMNAKDM4ENFE2L2NFKB1

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
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 — — EP disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 — — US disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 — — US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 — — US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 — — US disclosed
US-7960387-B2 2-(3-phenyl-2-piperazinyl-3,4-dihydroquinazolin-4-yl)acetic acids as antiviral agents, especially against cytomegaloviruses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-14 — — US disclosed
US-20070066622-A1 2-(3-Phenyl-2-piperazinyl-3,4-dihydroquinazolin-4-yl)acetic acids as antiviral agents, especially against cytomegaloviruses AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2007-03-22 — — 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 (2 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-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS NPSR1, TACR1, NPFFR1 MAPT 1937/4885LMNA 1925/4885KDM4E 4850/4885
US-20070066622-A1 2-(3-Phenyl-2-piperazinyl-3,4-dihydroquinazolin-4-yl)acetic acids as antiviral agents, especially against cytomegaloviruses EIF2AK2, ZC3HAV1, VHL MAPT 2266/4885LMNA 3482/4885KDM4E 1505/4885

“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.

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