SCHEMBL16275252

SCHEMBL16275252

Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCc2ccc(NC(=O)CBr)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 15/20 0.61
▸ HEXA P06865 2/20 0.52
▸ HEXB P07686 2/20 0.52
▸ DHFR P00374 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC22A1 O15245 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KMT2A Q03164 1/20 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
SCHEMBL16275223 0.89 REN (0.49) GHSR
SCHEMBL3635134 0.78 GHSR (0.72) GHSRDHFR
SCHEMBL16275259 0.77 REN (0.52) GHSRHEXAHEXBTP53
SCHEMBL6246829 0.76 GHSR (0.63) GHSRHEXAHEXBDHFRMEN1
SCHEMBL6245988 0.74 GHSR (0.89) GHSRDHFR
SCHEMBL6244563 0.74 GHSR (0.71) GHSRHEXAHEXBDHFRMEN1
SCHEMBL3631623 0.72 GHSR (0.62) GHSRDHFR
SCHEMBL3638616 0.72 GHSR (0.75) GHSRDHFR
SCHEMBL16275221 0.72 HEXA (0.64) GHSRHEXAHEXBDHFRMEN1
SCHEMBL6243638 0.71 GHSR (0.90) GHSRDHFR

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-20160152560-A1 Compounds for the treatment of hypertension and hypertensive end stage renal disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-06-02 — — US disclosed
US-20160152560-A1 Compounds for the treatment of hypertension and hypertensive end stage renal disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-06-02 — — US disclosed
WO-2014193969-A2 COMPOUNDS FOR THE TREATMENT OF HYPERTENSION AND HYPERTENSIVE END STAGE RENAL DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-04 — — WO 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-20160152560-A1 Compounds for the treatment of hypertension and hypertensive end stage renal disease REN, GLS, EDNRB GHSR 587/4885HEXA 2706/4885HEXB 2075/4885

“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.

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