SCHEMBL18917465

SCHEMBL18917465

O=C(Cc1ccccc1)NCC1CCCCN1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
EPHX2 P34913 2/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
PBK Q96KB5 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 2/20 0.46
CNR1 P21554 1/20 0.46
PARP1 P09874 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL13694086 0.97 POLB (0.53) POLBEPHX2NPC1RAB9APBK
SCHEMBL1803149 0.83 NPC1 (0.46) POLBNPC1RAB9APBKPARP1
SCHEMBL28133185 0.82 ALDH1A1 (0.46) EPHX2RAB9AALDH1A1MEN1KMT2A
SCHEMBL28351994 0.81 ALDH1A1 (0.54) POLBALDH1A1MEN1KMT2ALTA4H
SCHEMBL21041192 0.81 ALDH1A1 (0.54) POLBALDH1A1MEN1KMT2ALTA4H
SCHEMBL3760743 0.81 ADRB1 (0.59) POLBPBKPARP1HPGD
SCHEMBL6221703 0.81 ADRB1 (0.59) POLBPBKPARP1HPGD
SCHEMBL8396806 0.80 NPC1 (0.70) EPHX2NPC1RAB9AALDH1A1MEN1
SCHEMBL8393668 0.79 NPC1 (0.73) EPHX2NPC1RAB9AALDH1A1MEN1
SCHEMBL8395990 0.79 NPC1 (0.73) EPHX2NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160517-B1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE LYON (FR) 2024-06-12 EP disclosed
CN-106470977-B Water-soluble activatable molecular probe, synthetic intermediate thereof and related detection method 里昂高等师范学院 2021-07-09 CN disclosed
US-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US disclosed
US-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 US disclosed
CN-106470977-A Water solublity can anakmetomeres probe, its synthetic intermediate and related detecting method 里昂高等师范学院 2017-03-01 CN 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 (2 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-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods SI, GUSB, ABCG2 POLB 559/4885EPHX2 32/4885NPC1 2451/4885
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS SI, GUSB, ABCG2 POLB 559/4885EPHX2 32/4885NPC1 2451/4885

“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.