Nifurtimox

Nifurtimox

SCHEMBL9910611

CC1CS(=O)(=O)CCN1/N=C\c1ccc([N+](=O)[O-])o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 1.00
▸ ALDH1A1 P00352 6/20 1.00
▸ MAPT P10636 7/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ TP53 P04637 3/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ MITF O75030 3/20 0.51
▸ TDP1 Q9NUW8 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
Nifurtimox SCHEMBL60839 1.00 LMNA (1.00) LMNAALDH1A1MAPTSMN1; SMN2TP53
Nifurtimox SCHEMBL1650162 1.00 LMNA (1.00) LMNAALDH1A1MAPTSMN1; SMN2TP53
Nifurtimox SCHEMBL60840 1.00 LMNA (1.00) LMNAALDH1A1MAPTSMN1; SMN2TP53
Nifurtimox SCHEMBL4727154 0.92 LMNA (0.85) LMNAALDH1A1MAPTSMN1; SMN2TP53
Nifurtimox SCHEMBL2326415 0.91 LMNA (0.83) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL23003602 0.88 LMNA (0.78) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL23003603 0.88 LMNA (0.78) LMNAALDH1A1MAPTSMN1; SMN2TP53
Nifurtimox SCHEMBL2326559 0.84 LMNA (0.70) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL12609083 0.80 LMNA (0.67) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL368127 0.78 LMNA (0.64) LMNAALDH1A1MAPTSMN1; SMN2TP53

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
EP-2114410-B1 N-AMINO TETRAHYDROTHIAZINE DERIVATIVES, METHOD OF MANUFACTURE AND USE WOMEN & INFANTS HOSPITAL (US) 2015-03-25 — — EP disclosed
US-8193180-B2 N-amino tetrahydrothiazine derivatives, method of manufacture and use WOMEN & INFANTS HOSPITAL (US) 2012-06-05 — — US disclosed
US-8193180-B2 N-amino tetrahydrothiazine derivatives, method of manufacture and use WOMEN & INFANTS HOSPITAL (US) 2012-06-05 — — US disclosed
US-20100179136-A1 N-AMINO TETRAHYDROTHIAZINE DERIVATIVES, METHOD OF MANUFACTURE AND USE WOMEN & INFANTS HOSPITAL (US) 2010-07-15 — — US disclosed
US-20100179136-A1 N-AMINO TETRAHYDROTHIAZINE DERIVATIVES, METHOD OF MANUFACTURE AND USE WOMEN & INFANTS HOSPITAL (US) 2010-07-15 — — US disclosed
WO-2008091946-A2 N-AMINO TETRAHYDROTHIAZINE DERIVATIVES, METHOD OF MANUFACTURE AND USE WOMEN & INFANTS HOSPITAL (US) 2008-07-31 — — 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 (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-20100179136-A1 N-AMINO TETRAHYDROTHIAZINE DERIVATIVES, METHOD OF MANUFACTURE AND USE NNMT, GNMT, BHMT2 LMNA 4352/4885ALDH1A1 1748/4885MAPT 1344/4885

“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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