SCHEMBL4827751

SCHEMBL4827751

N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
NLN Q9BYT8 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.57
HDAC8 Q9BY41 3/20 0.55
KCNH2 Q12809 2/20 0.53
MCHR1 Q99705 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MALT1 Q9UDY8 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL13073418 0.93 NLN (0.61) CNR1NLNHDAC8CA12CA1
SCHEMBL20767371 0.86 HDAC8 (0.71) CNR1HDAC8LMNAMAPTPLAAT3
SCHEMBL20767373 0.86 HDAC8 (0.71) CNR1HDAC8LMNAMAPTPLAAT3
SCHEMBL13073331 0.85 CA12 (0.61) HDAC8CA12CA1CA2POLB
SCHEMBL14861105 0.85 CA12 (0.61) HDAC8CA12CA1CA2POLB
SCHEMBL6961215 0.85 CA12 (0.61) HDAC8CA12CA1CA2POLB
Hydrochloric Acid SCHEMBL7759019 0.83 CA12 (0.60) HDAC8CA12CA1CA2POLB
Hydrochloric Acid SCHEMBL7206635 0.83 CA12 (0.60) HDAC8CA12CA1CA2POLB
SCHEMBL29220965 0.81 HDAC8 (0.59) HDAC8CA12CA1CA2PLAAT3
SCHEMBL28260724 0.81 HDAC8 (0.59) HDAC8CA12CA1CA2PLAAT3

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CNR1 2850/4885NLN 2092/4885ADAMTS5 2986/4885

“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.