SCHEMBL4514217

SCHEMBL4514217

O=C1C(Cc2c(Cl)cccc2Cl)CCN1N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
CHRNA7 P36544 2/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GLA P06280 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4518008 0.86 CYP2A13 (0.46) KMT2AMAPTALDH1A1KDM4ENPSR1
SCHEMBL2065091 0.84 ESR1 (0.32) CHRNA7HSD11B1
SCHEMBL2065090 0.84 ESR1 (0.32) CHRNA7HSD11B1
Hydrochloric Acid SCHEMBL2065245 0.80 ALDH1A1 (0.34) MAPTCHRNA7ALDH1A1NPC1
Hydrochloric Acid SCHEMBL2065599 0.80 ALDH1A1 (0.34) MAPTCHRNA7ALDH1A1NPC1
SCHEMBL2065488 0.78 PDE4D (0.39)
SCHEMBL2065490 0.78 PDE4D (0.39)
SCHEMBL3553955 0.78 HSD11B1 (0.64) KMT2AMAPTHSD11B1ALDH1A1POLB
SCHEMBL3878989 0.77 KMT2A (0.39) KMT2AALDH1A1TSHRLMNANPSR1
SCHEMBL4518540 0.77 HSD11B1 (0.50) KMT2AMAPTHSD11B1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 KMT2A 2379/4885MAPT 4692/4885CHRNA7 3610/4885

“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.