SCHEMBL10819620

SCHEMBL10819620

CC(C)C(=O)c1ccc(CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.55
HDAC3 O15379 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
KDM4E B2RXH2 2/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
F10 P00742 1/20 0.47
ABAT P80404 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TPSAB1 Q15661 5/20 0.42
HRH3 Q9Y5N1 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
PSIP1 O75475 1/20 0.39
KMT2A Q03164 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 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
SCHEMBL18769014 0.85 RAB9A (0.55) HDAC3HDAC6NCOR2SMN1; SMN2TPSAB1
SCHEMBL480603 0.83 KMT2A (0.58) HDAC6KDM4EDBHGAARECQL
SCHEMBL3685675 0.83 KDM4E (0.50) KDM4EDBHGAARECQLSMN1; SMN2
SCHEMBL10820400 0.82 LOXL2 (0.50) LOXL2HDAC3HDAC6NCOR2KDM4E
SCHEMBL10121174 0.82 KDM4E (0.62) HDAC3HDAC6KDM4EDBHGAA
SCHEMBL22668308 0.81 LOXL2 (0.60) LOXL2KDM4EDBHGAARECQL
SCHEMBL28043314 0.81 KMT2A (0.53) LOXL2HDAC3HDAC6NCOR2KDM4E
SCHEMBL12158530 0.81 SLC6A2 (0.49) KDM4EDBHGAARECQLSMN1; SMN2
SCHEMBL3129690 0.81 ALDH1A1 (0.59) KDM4EDBHGAARECQLSMN1; SMN2
SCHEMBL22249514 0.79 CA1 (0.55) HDAC6KDM4EDBHGAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-05-26 US disclosed
US-20190276489-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY 2019-09-12 US disclosed
US-10336787-B2 Progesterone analogs and uses related thereto EMORY UNIVERSITY (US) 2019-07-02 US disclosed
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 US disclosed
US-20130210785-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-15 US disclosed
US-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 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 (5 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-10336787-B2 Progesterone analogs and uses related thereto PGR, SHBG, PGRMC1 LOXL2 569/4885HDAC3 1583/4885HDAC6 1978/4885
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST TLR9, TLR1, TLR3 LOXL2 2956/4885HDAC3 940/4885HDAC6 666/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 LOXL2 2750/4885HDAC3 795/4885HDAC6 517/4885
US-20130210785-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO PGR, SHBG, PGRMC1 LOXL2 569/4885HDAC3 1583/4885HDAC6 1978/4885
US-20190276489-A1 PROGESTERONE ANALOGS AND USES RELATED THERETO PGR, SHBG, PGRMC1 LOXL2 569/4885HDAC3 1583/4885HDAC6 1978/4885

“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.