SCHEMBL2380692

SCHEMBL2380692

Cc1nccn1CCCCCCC#N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
P2RX7 Q99572 1/20 0.46
CSNK2A1 P68400 3/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR8 Q9NR97 2/20 0.40
CHRM2 P08172 1/20 0.38

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
SCHEMBL2400812 0.93 ALDH1A1 (0.62) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL153672 0.86 ALDH1A1 (0.56) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL32685227 0.86 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL8540879 0.86 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL25010694 0.86 ALDH1A1 (0.77) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL25009512 0.84 ALDH1A1 (0.80) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL4431232 0.81 ALDH1A1 (0.61) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL4419014 0.81 ALDH1A1 (0.61) ALDH1A1KMT2APOLBCA12CA1
Water SCHEMBL8816675 0.81 ALDH1A1 (0.82) ALDH1A1KMT2APOLBCA12CA1
Water SCHEMBL27813809 0.81 ALDH1A1 (0.82) ALDH1A1KMT2APOLBCA12CA1

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
US-20190169342-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2019-06-06 US disclosed
EP-3130343-B1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2018-05-09 EP disclosed
EP-3130343-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2017-02-15 EP disclosed
EP-2538947-B1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2016-08-17 EP disclosed
US-20130189215-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2013-07-25 US disclosed
EP-2538947-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP disclosed
WO-2011106545-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 WO 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-20130189215-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, ITCH ALDH1A1 4043/4885KMT2A 2538/4885POLB 2025/4885
US-20190169342-A1 POLYIMIDAZOLES FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, ITCH ALDH1A1 4043/4885KMT2A 2538/4885POLB 2025/4885

“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.