SCHEMBL27202093

SCHEMBL27202093

NC(=O)c1cccc(NCCSc2ccccc2)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
RECQL P46063 1/20 0.39
BCL2 P10415 5/20 0.39
BCL2L1 Q07817 5/20 0.39
MCL1 Q07820 4/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29793288 0.81 RAB9A (0.42) NPC1RAB9ASMN1; SMN2HPGDMTNR1A
SCHEMBL29080227 0.76 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL27202053 0.72 BCL2 (0.42) BCL2BCL2L1MCL1ALDH1A1GAA
SCHEMBL27202085 0.72 BCL2L1 (0.59) BCL2BCL2L1MCL1MEN1KMT2A
SCHEMBL28698421 0.70 HTR6 (0.50) SMN1; SMN2HPGDRECQLALDH1A1CYP3A4
SCHEMBL3661739 0.69 CA2 (0.56) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL30309077 0.67 BCAT2 (0.59) NPC1RAB9ASMN1; SMN2SIRT1RECQL
SCHEMBL10383424 0.66 KDM4E (0.34) NPC1RAB9ASMN1; SMN2HPGDSIRT1
SCHEMBL26858769 0.65 BCL2L1 (0.48) BCL2BCL2L1MCL1ALDH1A1GAA
SCHEMBL4730471 0.64 CA2 (0.59) ALDH1A1GAALMNACYP3A4CYP2D6

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF NPC1 4062/4885RAB9A 2634/4885SMN1; SMN2 3318/4885

“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.