SCHEMBL9956726

SCHEMBL9956726

CCn1ncc(Br)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
NPC1 O15118 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 2/20 0.52
ATM Q13315 1/20 0.52
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 5/20 0.48
BLM P54132 1/20 0.48
RAB9A P51151 4/20 0.47
HSD17B10 Q99714 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MITF O75030 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL31332838 0.81 KMT2A (0.58) KMT2ANPC1MEN1HPGDATM
SCHEMBL6494029 0.79 NPC1 (0.46) KMT2ANPC1MEN1HPGDATM
SCHEMBL15565711 0.79 NPC1 (0.46) KMT2ANPC1MEN1HPGDATM
SCHEMBL1431082 0.78 NPC1 (0.44) KMT2ANPC1MEN1HPGDATM
SCHEMBL1431393 0.78 POLB (0.56) KMT2ANPC1MEN1ATMTSHR
SCHEMBL15897830 0.78 NPC1 (0.44) KMT2ANPC1MEN1HPGDATM
SCHEMBL21806953 0.76 LMNA (0.39) KMT2ANPC1MEN1HPGDATM
SCHEMBL1357879 0.75 HTT (0.50) HPGDLMNAGAASMN1; SMN2POLB
SCHEMBL28534811 0.73 SMN1; SMN2 (0.64) KMT2ANPC1MEN1HPGDLMNA
SCHEMBL1458310 0.71 LMNA (0.49) KMT2ANPC1HPGDLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
CN-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN disclosed
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KMT2A 3459/4885NPC1 1253/4885MEN1 4175/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KMT2A 3459/4885NPC1 1253/4885MEN1 4175/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KMT2A 3459/4885NPC1 1253/4885MEN1 4175/4885

“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.