SCHEMBL4515995

SCHEMBL4515995

O=C1C(Cc2ccc(Br)cc2Cl)CCN1C12CC3CC(CC(CO)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
IDE P14735 2/20 0.36
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 2/20 0.32
P2RX7 Q99572 2/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4515943 0.90 P2RX7 (0.36) ALDH1A1IDEHDAC6LMNAP2RX7
SCHEMBL5543748 0.85 S1PR1 (0.34) ALDH1A1IDELMNAP2RX7
SCHEMBL4504312 0.84 ALDH1A1 (0.38) ALDH1A1IDEP2RX7RECQLKMT2A
SCHEMBL14365303 0.82 P2RX7 (0.37) ALDH1A1IDELMNAP2RX7SMN1; SMN2
SCHEMBL4520440 0.81 IDE (0.35) ALDH1A1IDELMNAP2RX7SMN1; SMN2
SCHEMBL4514407 0.80 KDM1A (0.35) ALDH1A1IDELMNASMN1; SMN2
SCHEMBL5127854 0.79 P2RX7 (0.38) ALDH1A1IDELMNAP2RX7SMN1; SMN2
SCHEMBL5132089 0.76 ALDH1A1 (0.37) ALDH1A1LMNAP2RX7SMN1; SMN2
SCHEMBL4514378 0.76 CYP3A4 (0.36) ALDH1A1IDE
SCHEMBL4506472 0.75 ALDH1A1 (0.48) ALDH1A1IDEP2RX7SMN1; SMN2KMT2A

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 4 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

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 ALDH1A1 51/4885IDE 159/4885HDAC6 1914/4885

“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.