SCHEMBL4307358

SCHEMBL4307358

NN1CCN(Cc2ccc(-c3ccccc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
AR P10275 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL4310428 0.85 INPPL1 (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL398552 0.84 KDM4E (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL11627032 0.83 DRD4 (0.57) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2368529 0.83 AR (0.59) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL12420819 0.81 ALDH1A1 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL13940574 0.81 KMT2A (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL2197173 0.80 ALDH1A1 (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL11625572 0.77 HTR7 (0.59) ARALDH1A1KDM4ETDP1DRD4
SCHEMBL13616489 0.77 L3MBTL1 (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL11624612 0.77 DRD4 (0.58) ALDH1A1KDM4EDRD4DRD3LMNA

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
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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 (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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 CYP2E1 612/4885CYP3A4 402/4885CYP2A6 1607/4885

“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.