SCHEMBL3868690

SCHEMBL3868690

C[N+](C)=C[N+](C)(C)n1nnc2ccccc21.F[B-](F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ CYP4Z1 Q86W10 1/20 0.40
▸ DGAT1 O75907 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 2/20 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
SCHEMBL1259250 0.94 SLC9A1 (0.44) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4
SCHEMBL14353270 0.78 TSHR (0.41) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4
SCHEMBL16564463 0.71 TSHR (0.45) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4
SCHEMBL4822446 0.69 KMT2A (0.42) SLC9A1KEAP1ALDH1A1MAPTPOLB
SCHEMBL29788159 0.67 SLC9A1 (0.57) SLC9A1KEAP1MAPTPOLBTSHR
SCHEMBL598226 0.67 DGAT1 (0.49) SLC9A1ALDH1A1MAPTDGAT1POLB
SCHEMBL4859508 0.66 TSHR (0.50) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4
SCHEMBL14272188 0.65 SLC9A1 (0.50) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4990356 0.64 RAB9A (0.51) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4
SCHEMBL3518163 0.64 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1CYP1A2CYP3A4

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-9833768-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-12-05 — — US disclosed
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION IMPOSSIBLE FOODS INC. 2017-11-09 — — US disclosed
US-9737875-B2 Affinity reagents for protein purification IMPOSSIBLE FOODS INC. (US) 2017-08-22 — — US disclosed
US-20160222054-A1 PH SWITCHABLE REAGENTS AND METHODS FOR THEIR USE IMPOSSIBLE FOODS INC (US) 2016-08-04 — — US disclosed
US-20150087532-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-03-26 — — US disclosed
US-7479472-B1 DNA-templated combinatorial library chemistry THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-01-20 — — 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-20150087532-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A SLC9A1 4497/4885KEAP1 2336/4885ALDH1A1 4248/4885
US-20160222054-A1 PH SWITCHABLE REAGENTS AND METHODS FOR THEIR USE PHPT1, CA6, HMBS SLC9A1 1139/4885KEAP1 4120/4885ALDH1A1 1909/4885
US-20170320041-A1 AFFINITY REAGENTS FOR PROTEIN PURIFICATION RAB5IF, MRPL21, RPS27A SLC9A1 4497/4885KEAP1 2336/4885ALDH1A1 4248/4885

“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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