SCHEMBL16303671

SCHEMBL16303671

[N-]=[N+]=NCCc1c[nH]c2ccc(F)c(OCc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
TRPM8 Q7Z2W7 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LTA4H P09960 3/20 0.41
PLA2G2A P14555 3/20 0.41
HTR1D P28221 3/20 0.37
KDM1A O60341 2/20 0.37
SLC6A4 P31645 2/20 0.36
POLB P06746 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1163214 0.82 HTR2A (0.46) HTR2ATRPM8MAPTKDM4ELTA4H
SCHEMBL16306283 0.82 HTR1A (0.39) HTR2AMAPTKDM4EHTR1DGPR84
SCHEMBL1163155 0.79 HTR2A (0.67) HTR2ATRPM8MAPTKDM4EHTR1D
SCHEMBL27612131 0.70 TRPM8 (0.68) HTR2ATRPM8MAPTKDM4ELTA4H
SCHEMBL14882717 0.68 KDM1A (0.60) MAPTKDM1ASLC6A4HTR1ASLC6A2
SCHEMBL30681609 0.67 HTR2C (0.61) HTR2AMAPTKDM4EHTR1DPOLB
SCHEMBL13544554 0.67 GPR84 (0.42) HTR2AGPR84
SCHEMBL14270220 0.66 HTR2A (0.57) HTR2AMAPTKDM4EHTR1DSLC6A4
SCHEMBL31201415 0.66 HTR2A (0.57) HTR2AMAPTKDM4EHTR1DSLC6A4
SCHEMBL25748253 0.66 HTR1D (0.61) HTR2ATRPM8HTR1DSLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885TRPM8 2766/4885MAPT 1301/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885TRPM8 2766/4885MAPT 1301/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885TRPM8 2766/4885MAPT 1301/4885

“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.