SCHEMBL3477543

SCHEMBL3477543

O=C(Nc1cccc(F)c1)Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
RAB9A P51151 5/20 0.52
GRIK1 P39086 1/20 0.49
MTOR P42345 1/20 0.46
NPC1 O15118 3/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 1/20 0.45

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
SCHEMBL3477690 0.93 TUBB4A (0.43) MEN1KMT2ARAB9AGRIK1MTOR
SCHEMBL3477517 0.92 KDR (0.51) MEN1KMT2ARAB9AGRIK1NPC1
SCHEMBL3477387 0.91 KDR (0.47) MEN1KMT2AGRIK1TUBB4ATUBB
SCHEMBL3477557 0.89 KMT2A (0.51) MEN1KMT2ARAB9AGRIK1KDR
SCHEMBL3477240 0.85 GRIK1 (0.50) MEN1KMT2ARAB9AGRIK1NPC1
SCHEMBL3476834 0.85 KAT6A (0.46) MEN1KMT2ARAB9ANPC1TUBB4A
SCHEMBL3478380 0.85 IDH1 (0.46) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3478131 0.82 RAB9A (0.48) MEN1KMT2ARAB9ANPC1TUBB4A
SCHEMBL3477332 0.81 GPR27 (0.45) RAB9ANPC1TUBB4ATUBBTUBA3C
SCHEMBL3475544 0.81 TUBB4A (0.47) MEN1KMT2ARAB9ANPC1TUBB4A

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US claimed
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, RTF1, POLR1E MEN1 4419/4885KMT2A 1569/4885RAB9A 1995/4885

“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.