Acetonitrile

Acetonitrile

SCHEMBL23628987

CC#N.COC(=O)c1ccc(CBr)cc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CYP4A11 Q02928 2/20 0.51
CYP4F2 P78329 1/20 0.50
MAPT P10636 2/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL33494 0.91 LOXL2 (0.66) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL4050879 0.89 LOXL2 (0.63) LOXL2CYP4A11CYP4F2MAPTCA1
Bromide SCHEMBL4809006 0.89 LOXL2 (0.63) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL1774489 0.86 LOXL2 (0.59) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL7021444 0.86 LOXL2 (0.59) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL2839451 0.83 CA1 (0.56) LOXL2CYP4A11CYP4F2MAPTCA1
4-Methylbenzoic Acid Methyl Ester SCHEMBL7376893 0.81 TDP1 (0.67) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL7376896 0.80 LOXL2 (0.53) LOXL2CYP4A11CYP4F2MAPTCA1
Toluene SCHEMBL27262094 0.80 TDP1 (0.59) LOXL2CYP4A11MAPTCA1CA2
SCHEMBL28652088 0.79 NPC1 (0.65) MAPTMEN1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 US disclosed
US-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA UNIVERZA V LJUBLJANI (SI) 2021-10-21 US disclosed
EP-3847172-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA Univerza v Ljubljani (SI) 2021-07-14 EP 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-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOP1, TOP2A, TOP2B LOXL2 4609/4885CYP4A11 1569/4885CYP4F2 2865/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B LOXL2 4580/4885CYP4A11 1620/4885CYP4F2 2728/4885

“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.