SCHEMBL4833044

SCHEMBL4833044

COC(=O)CCNc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 3/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IL18 Q14116 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
TSHR P16473 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
Hydrochloric Acid SCHEMBL4833038 0.98 SMN1; SMN2 (0.49) SMN1; SMN2POLBCYP11B1CYP11B2HTT
SCHEMBL11404912 0.88 MAPT (0.45) SMN1; SMN2POLBCYP11B1CYP11B2HTT
SCHEMBL29245704 0.83 MAPT (0.51) POLBCYP11B1CYP11B2HTTMAPT
SCHEMBL4833263 0.82 ALDH1A1 (0.50) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL3826314 0.81 POLB (0.54) SMN1; SMN2POLBHTTMAPTLMNA
Hydrochloric Acid SCHEMBL4833254 0.81 ALDH1A1 (0.49) SMN1; SMN2HTTMAPTLMNAMEN1
SCHEMBL5184390 0.80 SMN1; SMN2 (0.55) SMN1; SMN2POLBHTTMAPTLMNA
SCHEMBL13948407 0.80 MAPT (0.57) SMN1; SMN2POLBHTTMAPTLMNA
SCHEMBL31601639 0.80 SMN1; SMN2 (0.55) SMN1; SMN2POLBHTTMAPTLMNA
SCHEMBL8886444 0.79 CNR1 (0.53) POLBHTTMAPTLMNAMEN1

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-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 SMN1; SMN2 2595/4885POLB 4775/4885CYP11B1 255/4885

“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.