SCHEMBL14765407

SCHEMBL14765407

Cc1ccc(C(=O)c2c(C(=O)c3ccc(Cl)c(Cl)c3)no[n+]2[O-])cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 5/20 0.61
HTT P42858 5/20 0.61
HPGD P15428 4/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
MAPK1 P28482 3/20 0.61
HSP90AA1 P07900 2/20 0.61
MITF O75030 1/20 0.61
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
PTPN7 P35236 2/20 0.54
CATSPER1 Q8NEC5 2/20 0.53
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8251473 0.92 MAPT (0.62) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL8243741 0.86 NPC1 (0.43) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL15891247 0.77 ALDH1A1 (1.00) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL2924706 0.71 HPGD (0.54) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL2117370 0.70 ALDH1A1 (1.00) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL8242849 0.70 CATSPER1 (1.00) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL11604346 0.66 CATSPER1 (0.59) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL8370261 0.66 CATSPER1 (0.63) ALDH1A1MAPTHTTHPGDNPC1
SCHEMBL6322177 0.65 SRD5A2 (0.79) MAPTHTTHPGDNPC1RAB9A
SCHEMBL15100942 0.65 SRD5A2 (0.53) ALDH1A1MAPTHTTHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732050-B2 Modulators of sperm hypermotility and uses thereof HYDRA BIOSCIENCES, INC. (US) 2017-08-15 US disclosed
US-20150335622-A1 MODULATORS OF SPERM HYPERMOTILITY AND USES THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-11-26 US disclosed
US-8952041-B2 Modulators of sperm hypermobility and uses thereof HYDRA BIOSCIENCES, INC. (US) 2015-02-10 US disclosed
US-20130123310-A1 MODULATORS OF SPERM HYPERMOBILITY AND USES THEREOF HYDRA BIOSCIENCES, INC. (US) 2013-05-16 US disclosed
US-8394840-B2 Modulators of sperm hypermotility and uses thereof HYDRA BIOSCIENCES, INC. (US) 2013-03-12 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-20130123310-A1 MODULATORS OF SPERM HYPERMOBILITY AND USES THEREOF CATSPER1, SPAG5, NASP ALDH1A1 630/4885MAPT 4340/4885HTT 331/4885
US-20150335622-A1 MODULATORS OF SPERM HYPERMOTILITY AND USES THEREOF CATSPER1, SPAG5, ITPR3 ALDH1A1 807/4885MAPT 4125/4885HTT 233/4885

“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.