SCHEMBL13616489

SCHEMBL13616489

C/C=N/N1CCN(Cc2ccc(-c3ccccc3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 6/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 4/20 0.40

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
SCHEMBL13616567 0.88 MAPK1 (0.49) L3MBTL1ALDH1A1POLBMAPK1HTT
SCHEMBL13616490 0.87 ALDH1A1 (0.44) L3MBTL1ALDH1A1POLBMAPK1KMT2A
SCHEMBL398552 0.80 KDM4E (0.58) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL4307358 0.77 CYP2E1 (0.53) ALDH1A1KMT2ACYP11B1CYP11B2CYP2E1
SCHEMBL13940574 0.77 KMT2A (0.47) ALDH1A1KMT2ACYP11B1CYP11B2CYP2E1
SCHEMBL11627032 0.76 DRD4 (0.57) ALDH1A1KMT2AHTTCYP2E1CYP3A4
SCHEMBL2368529 0.76 AR (0.59) ALDH1A1KMT2AHTTCYP11B1CYP11B2
SCHEMBL12420819 0.75 ALDH1A1 (0.58) ALDH1A1CYP11B1CYP11B2CYP2E1CYP3A4
SCHEMBL11625572 0.74 HTR7 (0.59) ALDH1A1POLBKMT2AHTTGAA
Hydrochloric Acid SCHEMBL2197173 0.73 ALDH1A1 (0.56) ALDH1A1CYP11B1CYP11B2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 4330/4885ALDH1A1 1070/4885POLB 839/4885

“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.