SCHEMBL40511

SCHEMBL40511

NCCCCC(c1ccco1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
RCE1 Q9Y256 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL43284 0.98 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL12513636 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL3723043 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL2092093 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL14435408 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL41857 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL12437163 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL40015 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL9367036 0.71 TSHR (0.64) ALDH1A1MEN1KMT2AGAAGLA
SCHEMBL1760870 0.68 ATM (0.52) ALDH1A1MEN1KMT2AMAPTTSHR

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
EP-2419408-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K. (JP) 2012-02-22 EP disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 WO disclosed
WO-2010119984-A1 3-ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-21 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 (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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR ALDH1A1 2066/4885MEN1 886/4885KMT2A 930/4885

“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.