SCHEMBL2845458

SCHEMBL2845458

CN1Cc2occc2C(Oc2cccc3cccnc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
SLC9A3 P48764 1/20 0.41
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
SLC40A1 Q9NP59 7/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2840305 0.81 SLC6A2 (0.39) KDM4EMAPTMEN1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL2840782 0.80 GRIN1 (0.37) HCRTR1HCRTR2LMNASLC6A2SLC6A4
SCHEMBL2841761 0.76 HCRTR2 (0.36) HCRTR1HCRTR2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2844269 0.75 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2866755 0.73 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2844303 0.73 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL20064518 0.73 SLC9A3 (0.48) DDB1CRBNSLC9A3KDM4EPOLB
Hydrochloric Acid SCHEMBL2839429 0.72 SLC6A2 (0.36) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2839613 0.70 HRH3 (0.37) RAB9AMEN1KMT2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2841722 0.70 KMT2A (0.38) KDM4ELMNARAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 DDB1 3904/4885CRBN 2502/4885SLC9A3 514/4885

“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.