SCHEMBL16355430

SCHEMBL16355430

C[C@H]1C(c2ccc(Cl)cc2)[C@@H]1NCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRNA7 P36544 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
FTO Q9C0B1 1/20 0.33
GRIA4 P48058 1/20 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
SCHEMBL12628506 0.75 MAOA (0.41) MAOAMAOBLMNACYP2A6ALDH1A1
SCHEMBL20458673 0.72 LMNA (0.57) MAOAMAOBLMNACYP2A6
Hydrochloric Acid SCHEMBL15200649 0.71 KDM1A (0.39) MAOAMAOBLMNACYP2A6ALDH1A1
Hydrochloric Acid SCHEMBL15200728 0.71 KDM1A (0.39) MAOAMAOBLMNACYP2A6ALDH1A1
Hydrochloric Acid SCHEMBL15200727 0.71 KDM1A (0.39) MAOAMAOBLMNACYP2A6ALDH1A1
SCHEMBL15200597 0.70 NFKB1 (0.46) MAOAMAOBALDH1A1KDM4EGLA
SCHEMBL16355426 0.70 NFKB1 (0.46) MAOAMAOBALDH1A1KDM4EGLA
Bicarbonate SCHEMBL11493311 0.68 ALOX15 (0.41) MAOAMAOBALDH1A1KDM4EGLA
SCHEMBL23744424 0.67 CES2 (0.48) LMNACYP2A6ALDH1A1POLBHPGD
SCHEMBL11481818 0.67 MAPK1 (0.40) MAOAMAOBALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408392-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-08-09 US disclosed
US-20140378461-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 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 (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-20140378461-A1 NOVEL COMPOUNDS CYP1B1, DDT, CYP51A1 MAOA 1667/4885MAOB 1203/4885LMNA 2552/4885

“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.