SCHEMBL2597816

SCHEMBL2597816

O=C(O)C1CCCc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
P2RX7 Q99572 3/20 0.41
CXCR4 P61073 8/20 0.39
F2 P00734 1/20 0.39
F12 P00748 1/20 0.39
ADORA2A P29274 1/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1155880 0.90 OPRL1 (0.40) HDAC1HDAC6P2RX7
SCHEMBL9770662 0.86 MCL1 (0.49) HDAC1HDAC6P2RX7CXCR4F2
SCHEMBL2688968 0.86 HDAC1 (0.45) HDAC1HDAC6P2RX7CXCR4F2
SCHEMBL29640806 0.86 HDAC1 (0.45) HDAC1HDAC6P2RX7CXCR4F2
SCHEMBL2305432 0.86 HDAC1 (0.45) HDAC1HDAC6P2RX7CXCR4F2
SCHEMBL27766407 0.83 HDAC1 (0.44) HDAC1HDAC6P2RX7CXCR4F2
SCHEMBL30558705 0.82 HDAC1 (0.46) HDAC1HDAC6P2RX7CXCR4ADORA2A
SCHEMBL27951689 0.82 HDAC1 (0.46) HDAC1HDAC6P2RX7CXCR4ADORA2A
Trifluoroacetic Acid SCHEMBL13269727 0.82 ELANE (0.38) HDAC1HDAC6P2RX7
SCHEMBL3312236 0.82 HDAC1 (0.46) HDAC1HDAC6P2RX7CXCR4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051360-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-02-13 US disclosed
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 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 (2 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-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB HDAC1 1474/4885HDAC6 2117/4885P2RX7 3584/4885
US-20250051360-A1 SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF TYK2, JAK2, JAK1 HDAC1 1380/4885HDAC6 711/4885P2RX7 2541/4885

“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.