SCHEMBL7229830

SCHEMBL7229830

CC(C)(C)OC(=O)NCc1cc(-c2ccc(C(=O)O)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
SREBF2 Q12772 1/20 0.45
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
MAPT P10636 1/20 0.41
CYP17A1 P05093 4/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
HPN P05981 1/20 0.39
RXRG P48443 1/20 0.39
KDM4A O75164 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL3312747 0.89 HDAC1 (0.44) HDAC1SREBF2ACACBACACANPC1
SCHEMBL30097021 0.86 ACACB (0.46) HDAC1ACACBACACALMNANAMPT
SCHEMBL508770 0.86 ACACB (0.46) HDAC1ACACBACACALMNANAMPT
SCHEMBL27640625 0.85 CYP17A1 (0.46) HDAC1ACACBACACANAMPTMAPT
SCHEMBL7229577 0.82 KMT2A (0.53) HDAC1NPC1LMNAPOLBRAB9A
SCHEMBL3416327 0.81 ACACB (0.45) HDAC1SREBF2ACACBACACA
SCHEMBL18049207 0.80 LOXL2 (0.56) HDAC1ACACBACACANPC1RAB9A
SCHEMBL7224012 0.80 PTPN2 (0.54) HDAC1NPC1RAB9A
SCHEMBL19558646 0.80 KDM4A (0.43) HDAC1SREBF2ACACBACACALMNA
SCHEMBL23959162 0.79 HDAC1 (0.61) HDAC1NPC1RAB9ANAMPTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 HDAC1 1317/4885SREBF2 4146/4885ACACB 2305/4885

“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.