SCHEMBL16921979

SCHEMBL16921979

CN(CCCN)c1nc(N)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16922004 0.89 HRH3 (0.33) HRH3ALDH1A1
SCHEMBL17853433 0.86 NPC1 (0.40) HRH3ALDH1A1NPC1TP53TSHR
SCHEMBL16921993 0.82 HRH3 (0.38) HRH3NOS1NOS2
SCHEMBL16921861 0.81 NPC1 (0.35) ALDH1A1NPC1TP53TSHRRAB9A
SCHEMBL16921799 0.81 ALDH1A1 (0.34) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL16922049 0.81 ALDH1A1 (0.34) HRH3ALDH1A1NOS1NOS2
SCHEMBL15597833 0.80 ALDH1A1 (0.34) HRH3ALDH1A1
SCHEMBL16922031 0.77 CTH (0.36) NOS1NOS2
SCHEMBL16921832 0.77 CTH (0.36) ALDH1A1NPC1TP53TSHRRAB9A
SCHEMBL16921780 0.77 ALDH1A1 (0.33) ALDH1A1NPC1TP53TSHRRAB9A

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-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9725426-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS SOVA PHARMACEUTICALS, INC. 2015-10-01 US disclosed
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. 2015-09-24 US disclosed
US-20150202186-A1 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN SOVA PHARMACEUTICALS, INC. 2015-07-23 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 (4 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-20170327478-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT HRH3 3120/4885ALDH1A1 954/4885NOS1 907/4885
US-20150266837-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS CBS, CTH, BHMT HRH3 3120/4885ALDH1A1 954/4885NOS1 907/4885
US-20150202186-A1 CYSTATHIONINE-(gamma)-LYASE (CSE) INHIBITORS FOR TREATING PAIN CBS, CTH, MTR HRH3 1850/4885ALDH1A1 1037/4885NOS1 2246/4885
US-20150272934-A1 USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS HIF1AN, CBS, COXFA4L2 HRH3 67/4885ALDH1A1 974/4885NOS1 549/4885

“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.