SCHEMBL2629324

SCHEMBL2629324

CN1Cc2ccccc2Nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.65
CREBBP Q92793 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
AHR P35869 1/20 0.38
PDK2 Q15119 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
HK1 P19367 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL11554130 0.81 BRD4 (0.44) BRD4CREBBPSMN1; SMN2GAAKDM4E
SCHEMBL677636 0.78 BRD4 (1.00) BRD4CREBBPNPC1MAPTAHR
SCHEMBL10061695 0.77 BRD4 (0.65) BRD4CREBBPNPC1KDM4EMEN1
SCHEMBL2629391 0.77 EPHX2 (0.54) BRD4CREBBPSMN1; SMN2MEN1MAPT
SCHEMBL904990 0.77 BRD4 (0.65) BRD4CREBBPNPC1KDM4EMEN1
SCHEMBL18034998 0.77
SCHEMBL23066488 0.75 SMN1; SMN2 (0.40) BRD4CREBBPSMN1; SMN2GAAMEN1
SCHEMBL2628443 0.75 TSPO (0.58)
SCHEMBL232686 0.72 GAA (0.54) BRD4CREBBPSMN1; SMN2GAAMEN1
SCHEMBL16300951 0.71 TSPO (0.48) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569380-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2013-10-29 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
WO-2011091050-A1 OLIGOMER-TRICYCLIC CONJUGATES NEKTAR THERAPEUTICS (US) 2011-07-28 WO disclosed
US-20100298296-A1 Oligomer-Tricyclic Conjugates NEKTAR THERAPEUTICS (US) 2010-11-25 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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-20100298296-A1 Oligomer-Tricyclic Conjugates ABCG2, SLCO1B3, SLC43A1 BRD4 2185/4885CREBBP 4884/4885SMN1; SMN2 2837/4885
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B BRD4 3900/4885CREBBP 4676/4885SMN1; SMN2 4623/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B BRD4 3900/4885CREBBP 4676/4885SMN1; SMN2 4623/4885

“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.