SCHEMBL7578581

SCHEMBL7578581

ClCc1nc2cnccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KRAS P01116 1/20 0.38
▸ DDAH1 O94760 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DRD4 P21917 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PKM P14618 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ DAO P14920 1/20 0.34

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
SCHEMBL7578585 0.85 KRAS (0.51) KDM4EALDH1A1KRASNPC1RAB9A
SCHEMBL10206036 0.81 DDAH1 (0.59) KDM4CKRASDDAH1POLBPDE3B
SCHEMBL5806722 0.81 TDP1 (0.49) KDM4CKRASDDAH1POLBPDE3B
SCHEMBL31875233 0.81 CACNA1H (0.44) KDM4CKRASDDAH1POLBPDE3B
SCHEMBL4072911 0.81 CACNA1H (0.44) KDM4CKRASDDAH1POLBPDE3B
Hydrochloric Acid SCHEMBL27147079 0.80 CACNA1H (0.42) KDM4CKRASDDAH1POLBPDE3B
SCHEMBL9851482 0.79 KDM4C (0.63) KDM4CKDM4EDDAH1POLBNPC1
SCHEMBL9598111 0.79 KDM4C (0.44) KDM4CKDM4EKRASPOLBNPC1
SCHEMBL9569918 0.79 KDM4C (0.48) KDM4CKDM4EKRASPOLBPDE3B
SCHEMBL11955037 0.77 KDM4C (0.40) KDM4CKRASDDAH1POLBPDE3B

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-20020151550-A1 Aryl and heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of bradykinin B2 receptors NEUROGEN CORPORATION (US) 2002-10-17 — — US disclosed
US-20020082425-A1 For therapy of obesity and diabetes NEUROGEN CORPORATION 2002-06-27 — — US disclosed
US-6358949-B1 CARDIOVASCULAR AND SEXUAL DISORDERS; DIABETES, KIDNEY DISEASE, LIVER CIRRHOSIS; ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIASTHMATICS NEUROGEN CORPORATION 2002-03-19 — — US disclosed
US-6271241-B1 BENZYLIMIDAZOLE DERIVATIVES AS MODULATORS OF BLOOD GLUCOSE LEVELS, ALSO USEFUL AS PROBES FOR LOCALIZATION OF CELLULAR RECEPTORS INVOLVED WITH SUCH MODULATION; FOOD METABOLISM AND FEEDING; TREATING DIABETES, OBESITY NEUROGEN CORPORATION 2001-08-07 — — 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-20020082425-A1 For therapy of obesity and diabetes GPR119, GLP1R, NPY1R KDM4C 3247/4885KDM4E 3600/4885ALDH1A1 363/4885
US-20020151550-A1 Aryl and heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of bradykinin B2 receptors BDKRB2, BDKRB1, HRH2 KDM4C 3793/4885KDM4E 3819/4885ALDH1A1 3159/4885

“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.

Send feedback