SCHEMBL408760

SCHEMBL408760

CN1CCN(CCN(CC(=O)O)Cc2ccccc2)CCN(CC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
MC4R P32245 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
OPRM1 P35372 2/20 0.42
RAB9A P51151 1/20 0.41
AVPR1A P37288 3/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL463093 0.95 ALDH1A1 (0.44) KMT2AALDH1A1MEN1POLBSIGMAR1
SCHEMBL18371471 0.90 ALPL (0.40) KMT2AMEN1OPRM1LMNA
SCHEMBL13013957 0.86 LMNA (0.42) KMT2AALDH1A1MEN1POLBSIGMAR1
SCHEMBL409691 0.85 SIGMAR1 (0.47) KMT2AALDH1A1SIGMAR1RAB9ASMN1; SMN2
SCHEMBL3113817 0.85 ALDH1A1 (0.46) KMT2AALDH1A1MEN1POLBLMNA
SCHEMBL13014046 0.84 TDP1 (0.42) KMT2AALDH1A1SIGMAR1LMNA
SCHEMBL408772 0.84 TDP1 (0.42) KMT2AALDH1A1SIGMAR1LMNA
SCHEMBL18021177 0.84 TDP1 (0.42) KMT2AALDH1A1SIGMAR1LMNA
SCHEMBL3773844 0.84 SIGMAR1 (0.39) KMT2AALDH1A1MEN1POLBSIGMAR1
SCHEMBL14569693 0.83 SIGMAR1 (0.51) KMT2AALDH1A1MEN1POLBSIGMAR1

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
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS CHONG, HYUN-SOON, PHD 2017-01-12 US disclosed
US-9115094-B2 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) 2015-08-25 US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 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 (4 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 KMT2A 4751/4885ALDH1A1 3513/4885MEN1 136/4885
US-20170008863-A1 SYNTHESIS OF THERAPEUTIC AND DIAGNOSTIC DRUGS CENTERED ON REGIOSELECTIVE AND STEREOSELECTIVE RING OPENING OF AZIRIDINIUM IONS AZI2, ABL1, DHPS KMT2A 4600/4885ALDH1A1 1847/4885MEN1 239/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR KMT2A 831/4885ALDH1A1 1885/4885MEN1 1282/4885
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, PKD1 KMT2A 4045/4885ALDH1A1 3456/4885MEN1 84/4885

“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.