SCHEMBL2241850

SCHEMBL2241850

O=C(Nc1ccc(Cl)c(F)c1)C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PTPN1 P18031 1/20 0.58
MGLL Q99685 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 4/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL2239611 0.86 HPGD (0.64) ALDH1A1SMN1; SMN2PTPN1MEN1KMT2A
SCHEMBL21669919 0.84 ULK1 (0.56) SMN1; SMN2MGLLMEN1KMT2AHPGD
SCHEMBL21669936 0.84 ULK1 (0.56) SMN1; SMN2MGLLMEN1KMT2AHPGD
SCHEMBL21670359 0.84 HDAC3 (0.51) ALDH1A1SMN1; SMN2MGLLMEN1KMT2A
SCHEMBL21669844 0.84 HDAC3 (0.51) ALDH1A1SMN1; SMN2MGLLMEN1KMT2A
SCHEMBL21670360 0.84 HDAC3 (0.51) ALDH1A1SMN1; SMN2MGLLMEN1KMT2A
SCHEMBL30976769 0.82 HPGD (0.58) ALDH1A1SMN1; SMN2PTPN1MEN1KMT2A
SCHEMBL4096062 0.82 PTPN1 (0.58) ALDH1A1SMN1; SMN2PTPN1MEN1KMT2A
SCHEMBL21670326 0.82 MGLL (0.52) SMN1; SMN2MGLLMEN1KMT2AHPGD
SCHEMBL21670580 0.82 KMT2A (0.54) SMN1; SMN2MEN1KMT2AHPGDLMNA

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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 ALDH1A1 507/4885SMN1; SMN2 3065/4885PTPN1 1145/4885

“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.