SCHEMBL21882813

SCHEMBL21882813

N=C(N/N=C/c1ccc(/C=C/C(=O)O)cc1)N/N=C/c1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
CA12 O43570 2/20 0.50
AKR1B10 O60218 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
AKR1B1 P15121 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
DPP4 P27487 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
ESR1 P03372 1/20 0.50
PKM P14618 1/20 0.50
TYR P14679 1/20 0.50
ESR2 Q92731 1/20 0.50
HDAC3 O15379 2/20 0.48

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
SCHEMBL27421239 0.87 HCAR2 (0.47) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27421238 0.87 HCAR2 (0.47) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL5974442 0.86 HCAR2 (0.46) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL5974445 0.86 HCAR2 (0.46) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL5974441 0.86 HCAR2 (0.46) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL17560760 0.78 PAM (0.51) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL21937369 0.76 MEN1 (0.64) HDAC3HDAC2HDAC8KMT2AMEN1
SCHEMBL7594903 0.76 MEN1 (0.64) HDAC3HDAC2HDAC8KMT2AMEN1
SCHEMBL19449623 0.76 MEN1 (0.64) HDAC3HDAC2HDAC8KMT2AMEN1
SCHEMBL3445449 0.76 SMN1; SMN2 (0.64) CA1CA2CA4CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 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-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS HCAR2 2875/4885CA12 1497/4885AKR1B10 714/4885

“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.