SCHEMBL19240348

SCHEMBL19240348

CC(C)(C)OCc1cccc(N=[N+]=[N-])c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.39
▸ RIPK1 Q13546 1/20 0.36
▸ HMGCR P04035 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ PDE4A P27815 3/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ NOX1 Q9Y5S8 2/20 0.33
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ AGXT P21549 1/20 0.31

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
SCHEMBL19250960 0.82 HTR1A (0.38) HTR1AHDAC1HDAC2SLC6A3SIGMAR1
SCHEMBL23150490 0.82 TSHR (0.40) HTR1ARIPK1HDAC1HDAC2PDE4A
SCHEMBL20288266 0.81 HDAC8 (0.34) RIPK1HDAC1HDAC2SLC6A3HDAC8
SCHEMBL23157787 0.79 IDO1 (0.53) IDO1CYP3A4AGXT
SCHEMBL646850 0.77 IDO1 (0.42) IDO1CYP3A4AGXT
SCHEMBL14270237 0.76 SIGMAR1 (0.44) HTR1ARIPK1SIGMAR1NOX1NOS1
SCHEMBL16749885 0.76 PDE4A (0.43) HTR1ARIPK1PDE4ASLC6A3SIGMAR1
SCHEMBL17208761 0.73 HTR1A (0.40) HTR1ARIPK1PDE4ASLC6A3SIGMAR1
SCHEMBL23270659 0.73 HTR1A (0.40) HTR1ARIPK1PDE4ASLC6A3SIGMAR1
SCHEMBL20552581 0.73 NOS1 (0.53) NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 — — US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 — — US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 — — 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 (4 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HTR1A 1345/4885RIPK1 2485/4885HMGCR 2457/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HTR1A 1345/4885RIPK1 2485/4885HMGCR 2457/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 HTR1A 925/4885RIPK1 2468/4885HMGCR 2757/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 HTR1A 1345/4885RIPK1 2485/4885HMGCR 2457/4885

“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.

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