SCHEMBL1241111

SCHEMBL1241111

CC(=O)OCCc1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
ABL1 P00519 3/20 0.36
BCR P11274 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
YWHAG P61981 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL14019283 0.83 LMNA (0.47) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL28376682 0.83 LMNA (0.46) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL31352300 0.80 KMT2A (0.57) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL8566920 0.80 KMT2A (0.57) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL9138875 0.80 ALDH1A1 (0.49) ALDH1A1CYP2D6MAPTSMN1; SMN2LMNA
SCHEMBL14358464 0.78 ALDH1A1 (0.49) ALDH1A1CYP2D6MAPTGAASMN1; SMN2
SCHEMBL1242085 0.77 TSHR (0.53) ALDH1A1CYP2D6MAPTGAASMN1; SMN2
SCHEMBL27143985 0.77 APP (0.39) ALDH1A1CYP3A4YWHAGAPP
SCHEMBL9316221 0.76 TSHR (0.56) ALDH1A1MAPT
SCHEMBL1241995 0.76 ALDH1A1 (0.44) ALDH1A1TDP1CYP1A2

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-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 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 (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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 ALDH1A1 3224/4885CYP2D6 785/4885MAPT 2690/4885

“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.