SCHEMBL9910959

SCHEMBL9910959

CCCCc1c(C)nc2sccn2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
CYP1A2 P05177 1/20 0.57
PKM P14618 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 3/20 0.50
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
DGKA P23743 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
GMNN O75496 1/20 0.50
ADRB2 P07550 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL9912159 0.96 TDP1 (0.56) TDP1CYP1A2PKMALDH1A1MAPT
SCHEMBL14516272 0.93 TDP1 (0.59) TDP1CYP1A2PKMALDH1A1MAPT
SCHEMBL4497496 0.87 CYP1A2 (0.63) TDP1CYP1A2PKMALDH1A1MAPT
Hydrochloric Acid SCHEMBL7891939 0.85 CYP1A2 (0.61) TDP1CYP1A2PKMALDH1A1MAPT
SCHEMBL10994685 0.76 CYP1A2 (0.70) TDP1CYP1A2PKMTP53SMN1; SMN2
SCHEMBL10998420 0.73 TDP1 (1.00) TDP1CYP1A2PKMTP53MAPK1
SCHEMBL637539 0.73 CYP1A2 (0.66) TDP1CYP1A2PKMTP53SMN1; SMN2
SCHEMBL10997189 0.73 CYP1A2 (0.66) TDP1CYP1A2PKMMAPTTP53
SCHEMBL8803568 0.71 TDP1 (0.56) TDP1CYP1A2PKMALDH1A1MAPT
SCHEMBL6216602 0.71 MAPT (0.75) PKMALDH1A1MAPTHSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 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 (5 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 TDP1 4110/4885CYP1A2 2757/4885PKM 1025/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 TDP1 4110/4885CYP1A2 2757/4885PKM 1025/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 TDP1 3990/4885CYP1A2 3413/4885PKM 892/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 TDP1 4110/4885CYP1A2 2757/4885PKM 1025/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 TDP1 4110/4885CYP1A2 2757/4885PKM 1025/4885

“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.