SCHEMBL21498190

SCHEMBL21498190

O=C(Nc1ccccc1)c1ccc(C(c2ccc(C(=O)Nc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.65
▸ RAB9A P51151 4/20 0.65
▸ PTPN1 P18031 2/20 0.62
▸ HDAC2 Q92769 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ LMNA P02545 1/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ POLB P06746 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ P2RX1 P51575 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ RORC P51449 1/20 0.55
▸ KCNK3 O14649 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.54

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
SCHEMBL4247052 0.86 NPC1 (0.86) NPC1RAB9APTPN1HDAC2HDAC8
SCHEMBL13601058 0.84 LMNA (0.78) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL9114835 0.83 PTGS1 (0.77) NPC1RAB9ALMNAMEN1POLB
SCHEMBL1315526 0.83 PTPN1 (0.87) NPC1RAB9APTPN1HDAC2HDAC8
SCHEMBL14715847 0.81 PTPN1 (0.84) NPC1RAB9APTPN1HDAC2HDAC8
N-Phenylbenzamide SCHEMBL5586411 0.80 NPC1 (0.71) NPC1RAB9APTPN1HDAC2HDAC8
SCHEMBL19501818 0.80 RAB9A (0.81) NPC1RAB9ALMNAMEN1POLB
SCHEMBL12010918 0.80 RAB9A (0.81) NPC1RAB9ALMNAMEN1POLB
SCHEMBL17115744 0.80 NPC1 (0.81) NPC1RAB9ALMNAMEN1POLB
SCHEMBL26953087 0.79 PTPN1 (0.88) NPC1RAB9APTPN1HDAC2HDAC8

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-10450265-B2 Method for producing amides or polyamides by using aromatic carbamates by way of isocyanates as precursors through catalyzed thermal processes and method for producing aromatic carbamate precursors from aromatic amines GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2019-10-22 — — 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-10450265-B2 Method for producing amides or polyamides by using aromatic carbamates by way of isocyanates as precursors through catalyzed thermal processes and method for producing aromatic carbamate precursors from aromatic amines NAAA, NISCH, CPS1 NPC1 2925/4885RAB9A 3109/4885PTPN1 3790/4885

“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.

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