SCHEMBL3629451

SCHEMBL3629451

NNc1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
ATM Q13315 1/20 0.57
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
GRM4 Q14833 3/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
IP6K1 Q92551 1/20 0.41
KDR P35968 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 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
IDO1 P14902 1/20 0.40
CYP2C19 P33261 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
SCHEMBL1968028 1.00 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL5470036 0.98 NPC1 (0.55) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL591897 0.98 NPC1 (0.55) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL29443430 0.98 NPC1 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28595722 0.84 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29419010 0.84 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14385683 0.82 NPC1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL16070584 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4638429 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM
SCHEMBL31611950 0.79 MEN1 (0.64) MEN1KMT2ANPC1RAB9AATM

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-20140171635-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK BIOSCIENCES, INC. (US) 2014-06-19 US disclosed
US-8541555-B2 Hydrazone-based and oxime-based fluorescent and chromophoric/pro-fluorescent and pro-chromophoric reagents and linkers SOLULINK BIOSCIENCES, INC. (US) 2013-09-24 US disclosed
EP-2150858-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS Solulink, INC. (US) 2010-02-10 EP disclosed
WO-2008140452-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK, INC. (US) 2008-11-20 WO disclosed
US-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids AUDAX PRIVATE DEBT LLC, AS AGENT 2008-09-11 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 (1 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-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids RRP12, MRPS22, HBG2 MEN1 2450/4885KMT2A 2833/4885NPC1 4218/4885

“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.