SCHEMBL19518061

SCHEMBL19518061

CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)[nH]c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 19/20 0.77
▸ PDE3B Q13370 3/20 0.66
▸ PDE3A Q14432 3/20 0.66
▸ ABCC4 O15439 2/20 0.66
▸ PDE2A O00408 1/20 0.66
▸ ABCC5 O15440 1/20 0.66
▸ PDE6D O43924 1/20 0.66
▸ PDE8A O60658 1/20 0.66
▸ PDE9A O76083 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ HTR1A P08908 1/20 0.66
▸ PDE6A P16499 1/20 0.66
▸ PDE6G P18545 1/20 0.66
▸ PDE4A P27815 1/20 0.66
▸ ADORA2A P29274 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ ADRA1A P35348 1/20 0.66
▸ PDE6B P35913 1/20 0.66
▸ PDE6C P51160 1/20 0.66

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
Sildenafil SCHEMBL492566 0.93 PDE5A (0.77) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL19254528 0.91 PDE5A (0.78) PDE5APDE3BPDE3AABCC4PDE2A
Lodenafil SCHEMBL18416781 0.89 PDE5A (0.78) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL22558019 0.87 KMT2A (0.62) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL29393046 0.87 KMT2A (0.62) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL18073972 0.87 PDE5A (0.60) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL22043089 0.87 PDE5A (0.63) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL22043086 0.87 PDE5A (0.63) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL1141 0.87 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL30199797 0.87 PDE5A (1.00) PDE5APDE3BPDE3AABCC4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390909-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-12-17 — — US disclosed
US-20190008870-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER JANSFAT BIOTECHNOLOGY CO LTD (TW) 2019-01-10 — — US disclosed
EP-3241552-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER Jansfat Biotechnology Co., Ltd. (TW) 2017-11-08 — — EP disclosed
US-20170312286-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER JANSFAT BIOTECHNOLOGY CO., LTD. (TW) 2017-11-02 — — 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 (3 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-20170312286-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER GYS2, PYGL, GYS1 PDE5A 14/4885PDE3B 78/4885PDE3A 69/4885
US-20200390909-A1 DRUG FRAGMENT IMAGING AGENT CONJUGATES FUCA1, SI, FOLH1 PDE5A 4432/4885PDE3B 4469/4885PDE3A 4279/4885
US-20190008870-A1 COMPOSITIONS AND METHODS FOR LIPID METABOLISM DISORDER GYS2, PYGL, GYS1 PDE5A 14/4885PDE3B 78/4885PDE3A 69/4885

“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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