SCHEMBL20598288

SCHEMBL20598288

O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 6/20 1.00
▸ KDM4E B2RXH2 12/20 0.74
▸ MEN1 O00255 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ LMNA P02545 8/20 0.67
▸ HTT P42858 7/20 0.67
▸ SMN1; SMN2 Q16637 7/20 0.67
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ TDP1 Q9NUW8 6/20 0.62
▸ USP2 O75604 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ MCOLN3 Q8TDD5 1/20 0.62
▸ OPRK1 P41145 1/20 0.62
▸ ALOX12 P18054 1/20 0.60
▸ RECQL P46063 1/20 0.59
▸ TP53 P04637 4/20 0.58
▸ ALOX15 P16050 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58

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
SCHEMBL20597939 0.88 ADCY1 (1.00) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589707 0.84 ADCY1 (0.74) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589718 0.84 ADCY1 (0.78) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL20598023 0.84 ADCY1 (1.00) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL20598091 0.82 ADCY1 (1.00) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL21464953 0.82 ADCY1 (0.78) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589787 0.82 ADCY1 (0.82) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589730 0.82 ADCY1 (0.74) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589752 0.82 ADCY1 (0.69) ADCY1KDM4EMEN1KMT2ALMNA
SCHEMBL22589768 0.82 ADCY1 (0.69) ADCY1KDM4EMEN1KMT2ALMNA

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-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2020-01-30 — — US disclosed
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2019-10-29 — — US disclosed
US-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-03 — — 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-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, OPRK1, OPRL1 ADCY1 4/4885KDM4E 3260/4885MEN1 4651/4885
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, OPRK1 ADCY1 2/4885KDM4E 3222/4885MEN1 4570/4885
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS ADCY1, CAP1, ADCY2 ADCY1 1/4885KDM4E 3984/4885MEN1 4240/4885

“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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