SCHEMBL10064684

SCHEMBL10064684

C=C1C=Cc2ccccc2N1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.43
P2RX1 P51575 4/20 0.43
P2RX3 P56373 4/20 0.43
P2RX7 Q99572 2/20 0.43
SLC22A3 O75751 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
PTBP1 P26599 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN4A P35499 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1102394 0.86 P2RX4 (0.50) P2RX4P2RX1P2RX3P2RX7SLC22A3
SCHEMBL18926940 0.76 P2RX4 (0.44) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL25933915 0.74 SLC22A3 (0.48) P2RX4P2RX1P2RX3P2RX7SLC22A3
SCHEMBL10105334 0.74 MAPT (0.42) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL21439922 0.73 HTR1A (0.50) P2RX4P2RX1P2RX3P2RX7SLC22A3
SCHEMBL10086947 0.71 MAPT (0.54) P2RX4P2RX1P2RX3P2RX7SLC22A3
SCHEMBL14299551 0.71 P2RX4 (0.44) P2RX4P2RX1P2RX3P2RX7SLC22A3
SCHEMBL22739038 0.70 SLC22A3 (0.48) P2RX4P2RX1P2RX3P2RX7SLC22A3
SCHEMBL18136099 0.69 P2RX4 (0.44) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL22739278 0.69 SMN1; SMN2 (0.38) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018315-B2 Peptide nucleic acid functionalized hydrogel microneedles for sampling and detection of interstitial fluid nucleic acids MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-06-25 US disclosed
US-12018315-B2 Peptide nucleic acid functionalized hydrogel microneedles for sampling and detection of interstitial fluid nucleic acids MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-06-25 US disclosed
US-20230242969-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS HOWARD HUGHES MEDICAL INSTITUTE 2023-08-03 US disclosed
US-20230242969-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS HOWARD HUGHES MEDICAL INSTITUTE 2023-08-03 US disclosed
US-20200377929-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-12-03 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
US-20130237539-A1 Compounds and Compositions for Treating Cancer THE GENERAL HOSPITAL CORPORATION (US) 2013-09-12 US disclosed
US-20130203757-A1 Compounds And Compositions For Treating Cancer THE GENERAL HOSPITAL CORPORATION (US) 2013-08-08 US disclosed
US-8349832-B2 Compounds and compositions for treating cancer Canthera Therapeutics (US) 2013-01-08 US disclosed
US-20120157455-A1 Compounds And Compositions For Treating Cancer CANTHERA THERAPEUTICS, INC. (US) 2012-06-21 US disclosed
US-20110053938-A1 Compounds and Compositions For Treating Cancer CANTHERA THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
WO-2007034616-A1 TWO-PHOTON-ABSORBING RECORDING MEDIUM, TWO-PHOTON-ABSORBING RECORDING/REPRODUCING METHOD, AND TWO-PHOTON-ABSORBING RECORDING/REPRODUCING APPARATUS FUJIFILM CORPORATION (JP) 2007-03-29 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 (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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP P2RX4 4792/4885P2RX1 4745/4885P2RX3 4734/4885
US-20130203757-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 P2RX4 2628/4885P2RX1 2241/4885P2RX3 1730/4885
US-20110053938-A1 Compounds and Compositions For Treating Cancer NQO1, HCCS, TXNRD2 P2RX4 2628/4885P2RX1 2241/4885P2RX3 1730/4885
US-20130237539-A1 Compounds and Compositions for Treating Cancer NQO1, HCCS, TXNRD2 P2RX4 2628/4885P2RX1 2241/4885P2RX3 1730/4885
US-20120157455-A1 Compounds And Compositions For Treating Cancer NQO1, HCCS, TXNRD2 P2RX4 2628/4885P2RX1 2241/4885P2RX3 1730/4885

“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.