SCHEMBL20740854

SCHEMBL20740854

F[P-](F)(F)(F)(F)F.c1ccc2c(c1)nnn2-c1cccc2c1nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.40
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ TSHR P16473 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ TDP2 O95551 1/20 0.32

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
SCHEMBL29354050 0.85 TSHR (0.42) POLBKMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL2507036 0.85 TSHR (0.42) POLBKMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL27808614 0.84 TSHR (0.41) POLBKMT2ANPSR1SMN1; SMN2TSHR
Phosphine SCHEMBL28247442 0.84 TSHR (0.41) POLBKMT2ANPSR1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL30943478 0.84 TSHR (0.41) POLBKMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL20740857 0.81 KCNMA1 (0.41) KCNMA1POLBKMT2ANPSR1KDM4E
SCHEMBL29360593 0.80 TSHR (0.46) POLBKMT2ANPSR1SMN1; SMN2TSHR
Fluoride Ion SCHEMBL17601912 0.79 TSHR (0.45) POLBKMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL28555388 0.77 TSHR (0.36) POLBKMT2ANPSR1SMN1; SMN2TSHR
SCHEMBL8623356 0.77 TSHR (0.41) POLBKMT2ANPSR1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055223-A1 TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2019-02-21 — — 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-20190055223-A1 TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF VIP, HABP2, FURIN KCNMA1 912/4885POLB 4156/4885KMT2A 4784/4885

“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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