SCHEMBL18747985

SCHEMBL18747985

C=C(N)CCC(C(=O)OC)N1Cc2c(N)cccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 2/20 0.35
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
PHGDH O43175 1/20 0.34
LMNA P02545 2/20 0.34
TNF P01375 2/20 0.34

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
SCHEMBL7859587 0.91 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL10074197 0.89 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL7849187 0.89 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL31047967 0.83 TNF (0.39) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL7857212 0.83 TNF (0.39) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL18747986 0.81 ALOX15 (0.36) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL10192666 0.81 NPC1 (0.43) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL2254579 0.81 NPC1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL15247750 0.79 KDM4E (0.44) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL6368923 0.79 KDM4E (0.37) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107193-A1 CRYSTALLINE LENALIDOMIDE PROCESS SHILPA MEDICARE LIMITED (IN) 2017-04-20 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-20170107193-A1 CRYSTALLINE LENALIDOMIDE PROCESS SF3B1, SF3B2, LAS1L NPC1 3278/4885RAB9A 2936/4885KMT2A 2269/4885

“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.