SCHEMBL18992133

SCHEMBL18992133

CCOC(=O)C(Cl)=NN=C(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 3/20 0.41
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20586088 1.00 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19003501 0.79 NPC1 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11637321 0.77 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11634609 0.77 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11634606 0.77 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18992193 0.76 TDP1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18992194 0.76 TDP1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8706099 0.76 MEN1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14194422 0.73 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8114454 0.73 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485987-B2 Methods for inducing bioorthogonal reactivity UNIVERSITY OF DELAWARE (US) 2022-11-01 US disclosed
US-20210164005-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2021-06-03 US disclosed
US-10875840-B2 Methods for inducing bioorthogonal reactivity UNIVERSITY OF DELAWARE (US) 2020-12-29 US disclosed
US-20180362504-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY UNIVERSITY OF DELAWARE (US) 2018-12-20 US disclosed
WO-2017106427-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY FOX JOSEPH (US) 2017-06-22 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-20180362504-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY CBR1, CBR3, DUOX1 ALDH1A1 200/4885MAPT 3213/4885SMN1; SMN2 4820/4885
US-10875840-B2 Methods for inducing bioorthogonal reactivity CBR1, CBR3, DUOX1 ALDH1A1 204/4885MAPT 3220/4885SMN1; SMN2 4819/4885

“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.