SCHEMBL3975599

SCHEMBL3975599

COC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 7/20 0.60
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ RAB9A P51151 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ CA2 P00918 2/20 0.53
▸ ERAP2 Q6P179 5/20 0.51
▸ ERAP1 Q9NZ08 4/20 0.51
▸ TYMS P04818 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL3975596 1.00 LNPEP (0.60) LNPEPHDAC1HDAC6RAB9AGAA
SCHEMBL11907457 0.93 LNPEP (0.67) LNPEPRAB9AGAACA2ERAP2
SCHEMBL7511243 0.88 LNPEP (0.76) LNPEPRAB9AGAACA2ERAP2
SCHEMBL7511247 0.88 LNPEP (0.76) LNPEPRAB9AGAACA2ERAP2
SCHEMBL9088699 0.87 RAB9A (0.71) LNPEPRAB9AGAACA2ERAP2
SCHEMBL9088697 0.87 RAB9A (0.71) LNPEPRAB9AGAACA2ERAP2
SCHEMBL7613514 0.87 RAB9A (0.64) LNPEPRAB9AGAACA2ERAP2
SCHEMBL16846615 0.86 LNPEP (0.59) LNPEPRAB9AGAACA2ERAP2
SCHEMBL11926971 0.85 LNPEP (0.58) LNPEPRAB9AGAACA2ERAP2
SCHEMBL7905129 0.85 LNPEP (0.57) LNPEPRAB9AGAACA2ERAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 — — US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 LNPEP 1652/4885HDAC1 1936/4885HDAC6 2949/4885

“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.

Send feedback