SCHEMBL20181058

SCHEMBL20181058

CCCC[C@H]1COC(c2cccc(C3=N[C@@H](C)CO3)n2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.40
NOS1 P29475 2/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL26751432 0.92 MAPT (0.40) NOS2NOS1MAPTKDM4ENPC1
SCHEMBL14154741 0.84 KDM4E (0.44) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5176371 0.84 KDM4E (0.44) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7173060 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7173073 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7179383 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7173290 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7171375 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176802 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7181522 0.81 KDM4E (0.42) MAPTKDM4ENPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof EAST CHINA NORMAL UNIVERSITY (CN) 2019-10-22 US disclosed
US-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF EAST CHINA NORMAL UNIVERSITY (CN) 2018-05-24 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-20180141964-A1 FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF NCLN, PNN, MB NOS2 231/4885NOS1 269/4885MAPT 2928/4885
US-10450331-B2 Functionalized cyanosilane and synthesis method and use thereof NCLN, PNN, MB NOS2 231/4885NOS1 269/4885MAPT 2928/4885

“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.