SCHEMBL9901587

SCHEMBL9901587

BrCc1cc(-c2ccccn2)no1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KDM4E B2RXH2 6/20 0.48
LMNA P02545 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
TP53 P04637 5/20 0.42
PKM P14618 4/20 0.42
ALDH1A1 P00352 4/20 0.42

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
SCHEMBL9901314 0.87 CA12 (0.47) CA12CA9KDM4ELMNACCR1
SCHEMBL26527466 0.83 CA12 (0.49) CA12CA9KDM4ELMNACCR1
SCHEMBL1314692 0.83 NOTUM (0.62) CA12CA9KDM4ELMNACCR1
SCHEMBL31434715 0.83 NOTUM (0.62) CA12CA9KDM4ELMNACCR1
SCHEMBL8938531 0.83 CA12 (0.49) CA12CA9KDM4ELMNACCR1
SCHEMBL2120922 0.83 NOTUM (0.62) CA12CA9KDM4ELMNACCR1
SCHEMBL15399007 0.80 NOTUM (0.37) CA12CA9LMNAPOLBSMN1; SMN2
SCHEMBL9902305 0.80 CA12 (0.47) CA12CA9KDM4ELMNACCR1
SCHEMBL15142095 0.79 CA12 (0.46) CA12CA9KDM4ELMNACCR1
SCHEMBL6705331 0.79 CA12 (0.49) CA12CA9KDM4ELMNACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348476-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF 3 2 PHARMA LLC (US) 2023-11-02 US disclosed
US-20230348476-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF 3 2 PHARMA LLC (US) 2023-11-02 US disclosed
US-11655253-B2 CBP/catenin signaling pathway inhibitors and uses thereof 3+2 PHARMA, LLC (US) 2023-05-23 US disclosed
US-11655253-B2 CBP/catenin signaling pathway inhibitors and uses thereof 3+2 PHARMA, LLC (US) 2023-05-23 US disclosed
US-20210317123-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF 3+2 PHARMA, LLC 2021-10-14 US disclosed
WO-2021183796-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF 3+2 PHARMA (US) 2021-09-16 WO disclosed
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 US disclosed
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 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 (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-20230348476-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF CREBBP, CREB1, EP300 CA12 4434/4885CA9 2858/4885KDM4E 773/4885
US-11655253-B2 CBP/catenin signaling pathway inhibitors and uses thereof CREBBP, CREB1, EP300 CA12 4434/4885CA9 2858/4885KDM4E 773/4885
US-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 CA12 2670/4885CA9 518/4885KDM4E 313/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 CA12 2342/4885CA9 428/4885KDM4E 298/4885
US-20210317123-A1 CBP/CATENIN SIGNALING PATHWAY INHIBITORS AND USES THEREOF CREBBP, CREB1, EP300 CA12 4434/4885CA9 2858/4885KDM4E 773/4885

“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.