SCHEMBL3989620

SCHEMBL3989620

COC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc2cc(Oc3ccc(C(C)(C)C)cc3)ccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CDK2 P24941 7/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC6 Q9UBN7 6/20 0.43
▸ TACR3 P29371 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL3992786 1.00 MEN1 (0.55) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL8300311 0.97 MEN1 (0.55) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL3999232 0.97 MEN1 (0.55) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL3995443 0.97 MEN1 (0.55) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL3995241 0.97 ALDH1A1 (0.56) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL3992920 0.94 ALDH1A1 (0.57) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL3991643 0.93 MEN1 (0.47) MEN1ALDH1A1LMNAKMT2ACDK2
SCHEMBL8297974 0.93 PTPN1 (0.47) MEN1ALDH1A1LMNAKMT2ASCN9A
SCHEMBL3997322 0.93 PTPN1 (0.47) MEN1ALDH1A1LMNAKMT2ASCN9A
SCHEMBL3993344 0.93 PTPN1 (0.47) MEN1ALDH1A1LMNAKMT2ASCN9A

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 MEN1 3738/4885ALDH1A1 2886/4885LMNA 575/4885

“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