SCHEMBL5237277

SCHEMBL5237277

OC1(c2ccc(OC(F)(F)F)cc2)CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
SLC6A4 P31645 11/20 0.48
SLC6A3 Q01959 8/20 0.48
SLC6A2 P23975 2/20 0.48
MMP3 P08254 2/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
EPHX1 P07099 1/20 0.42
LIPE Q05469 1/20 0.41
CCR1 P32246 1/20 0.41
MMP10 P09238 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR1 P25103 1/20 0.40
NISCH Q9Y2I1 1/20 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
Tert-Butyl Formate SCHEMBL28793870 0.87 DRD2 (0.42) DRD2SLC6A4SLC6A3SLC6A2MMP3
SCHEMBL20267107 0.84 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2CCR1MEN1
SCHEMBL2274564 0.81 TACR1 (0.53) DRD2SLC6A2MEN1KMT2ATACR1
Hydrochloric Acid SCHEMBL4807753 0.80 TACR1 (0.52) DRD2SLC6A2MEN1KMT2ATACR1
SCHEMBL22817125 0.79 SLC6A4 (0.65) DRD2SLC6A4SLC6A3SLC6A2EPHX1
SCHEMBL14438093 0.78 ALDH1A1 (0.50) DRD2SLC6A4SLC6A3SLC6A2MMP9
SCHEMBL19627311 0.78 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2MMP3MMP1
SCHEMBL654668 0.77 DRD2 (0.59) DRD2CCR1MEN1KMT2A
SCHEMBL653874 0.77 DRD2 (0.59) DRD2SLC6A3MMP3MMP9MMP8
SCHEMBL3892761 0.77 DRD2 (0.54) DRD2SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
CN-105732659-A Nitroimidazole compound, preparation method and pharmaceutical application thereof 上海阳帆医药科技有限公司 2016-07-06 CN disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 DRD2 2619/4885SLC6A4 1270/4885SLC6A3 2114/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 DRD2 1084/4885SLC6A4 1124/4885SLC6A3 1158/4885

“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.