SCHEMBL20314200

SCHEMBL20314200

Clc1ccc(COc2cccc(CNCC3CNC3)c2)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 4/20 0.41
▸ SLC6A4 P31645 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ NR4A3 Q92570 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL20314201 0.92 PRMT5 (0.42) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314193 0.89 MEN1 (0.49) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20324511 0.88 ANO1 (0.43) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314092 0.88 MEN1 (0.43) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314177 0.87 BCHE (0.47) MEN1KMT2AMAPK1BCHEALDH1A1
SCHEMBL20314147 0.85 SLC6A4 (0.45) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314089 0.85 SMN1; SMN2 (0.59) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314101 0.82 BCHE (0.49) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314206 0.82 MEN1 (0.46) MEN1KMT2AMAPK1HTTSMN1; SMN2
SCHEMBL20314110 0.81 CXCR4 (0.45) MEN1KMT2AMAPK1HTTSMN1; SMN2

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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 — — US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 — — US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 — — US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 — — 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 (3 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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MEN1 3487/4885KMT2A 4516/4885MAPK1 636/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 MEN1 3443/4885KMT2A 4520/4885MAPK1 641/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MEN1 3443/4885KMT2A 4520/4885MAPK1 641/4885

“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.

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