SCHEMBL1242085

SCHEMBL1242085

O=[N+]([O-])c1cc(CCO)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 6/20 0.47
CYP2D6 P10635 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALOX5 P09917 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL9138875 0.89 ALDH1A1 (0.49) TSHRALDH1A1CYP2D6POLBSMN1; SMN2
SCHEMBL279049 0.86 ALDH1A1 (0.50) TSHRALDH1A1CYP2D6POLBSMN1; SMN2
SCHEMBL10608137 0.84 TSHR (0.58) TSHRALDH1A1POLBSMN1; SMN2CA2
SCHEMBL672403 0.82 ALDH1A1 (0.49) ALDH1A1CYP2D6POLBSMN1; SMN2CA2
SCHEMBL29519283 0.82 ALDH1A1 (0.49) ALDH1A1CYP2D6POLBSMN1; SMN2CA2
SCHEMBL6812707 0.81 POLB (0.63) TSHRALDH1A1POLBSMN1; SMN2CA2
Methane SCHEMBL21550186 0.81 TSHR (0.55) TSHRALDH1A1POLBSMN1; SMN2CA2
SCHEMBL29987829 0.81 POLB (0.63) TSHRALDH1A1POLBSMN1; SMN2CA2
SCHEMBL3073523 0.80 ALDH1A1 (0.47) ALDH1A1CYP2D6POLBSMN1; SMN2MAPT
SCHEMBL30385788 0.80 ALDH1A1 (0.47) ALDH1A1CYP2D6POLBSMN1; SMN2MAPT

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 TSHR 1848/4885ALDH1A1 3224/4885CYP2D6 785/4885

“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.