SCHEMBL14820140

SCHEMBL14820140

CN1C[C@@H]2[C@H](C1)[C@H]2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
AOC3 Q16853 1/20 0.38
MC4R P32245 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD3 P35462 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7867642 1.00 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL18484463 1.00 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL25730521 0.81 SLC6A2 (0.47) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL14805869 0.81 ALDH1A1 (0.37) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL8168773 0.81 FUCA1 (0.50) ALDH1A1SIGMAR1
SCHEMBL5184184 0.78 DPP7 (0.41) KMT2AMEN1RAB9AALDH1A1
SCHEMBL4780977 0.78 ALOX15 (0.38) SLC6A2SLC6A4DRD2
SCHEMBL12627343 0.76 SLC6A2 (0.41) KMT2AMEN1ALDH1A1TSHRSLC6A2
SCHEMBL4776044 0.75 RORC (0.41) SLC6A2SLC6A4
SCHEMBL4778958 0.75 ADRA1D (0.48) ALDH1A1SLC6A2SLC6A4SIGMAR1DRD2

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-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 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 (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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KMT2A 2823/4885MEN1 4082/4885RAB9A 3071/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KMT2A 2823/4885MEN1 4082/4885RAB9A 3071/4885

“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.