SCHEMBL16000433

SCHEMBL16000433

CN1CCN(CC(=O)O)CC(Cc2ccc(N)cc2)N(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
FOLH1 Q04609 2/20 0.41
CHIT1 Q13231 2/20 0.38
DPP4 P27487 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
SLC6A9 P48067 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL12238060 1.00 LMNA (0.46) LMNAFOLH1CHIT1DPP4CA1
SCHEMBL436094 0.99 LMNA (0.45) LMNAFOLH1CHIT1DPP4CA1
SCHEMBL18118425 0.93 LMNA (0.43) LMNAFOLH1CHIT1DPP4CA1
SCHEMBL17119211 0.93 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2
SCHEMBL1079200 0.93 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2
SCHEMBL1996255 0.93 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2
SCHEMBL5864632 0.93 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2
SCHEMBL15904929 0.93 FOLH1 (0.45) FOLH1CHIT1DPP4CA1CA2
Hydrochloric Acid SCHEMBL31226505 0.91 FOLH1 (0.44) FOLH1CHIT1DPP4CA1CA2
SCHEMBL12261650 0.91 FOLH1 (0.41) LMNAFOLH1CHIT1DPP4SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9610370-B2 Compositions and methods for tumor imaging and targeting by a class of organic heptamethine cyanine dyes that possess dual nuclear and near-infrared properties UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-04-04 US disclosed
US-20140248213-A1 COMPOSITIONS AND METHODS FOR TUMOR IMAGING AND TARGETING BY A CLASS OF ORGANIC HEPTAMETHINE CYANINE DYES THAT POSSESS DUAL NUCLEAR AND NEAR-INFRARED PROPERTIES CEDARS-SINAI MEDICAL CENTER (US) 2014-09-04 US 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-20140248213-A1 COMPOSITIONS AND METHODS FOR TUMOR IMAGING AND TARGETING BY A CLASS OF ORGANIC HEPTAMETHINE CYANINE DYES THAT POSSESS DUAL NUCLEAR AND NEAR-INFRARED PROPERTIES MKI67, HCCS, ARNT LMNA 1486/4885FOLH1 862/4885CHIT1 1874/4885

“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.