SCHEMBL2679441

SCHEMBL2679441

NCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 1.00
KCNH2 Q12809 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70

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
Bromide SCHEMBL14976365 0.98 KIF11 (0.95) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Water SCHEMBL11129297 0.98 KIF11 (0.95) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6226052 0.91 KIF11 (0.83) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Iodide SCHEMBL5092391 0.89 KIF11 (0.80) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Iodide SCHEMBL5092420 0.89 KIF11 (0.80) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL5087839 0.89 KIF11 (0.80) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5085141 0.89 KIF11 (0.80) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5086796 0.89 KIF11 (0.80) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL5085165 0.89 KIF11 (0.80) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3414508 0.85 KIF11 (0.74) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-11993556-B1 Peptoid-based inhibitors of the protein arginine methyltransferase (PRMT) family UNIVERSITY OF NORTH FLORIDA BOARD OF TRUSTEES (US) 2024-05-28 US disclosed
US-8796908-B2 Piezoelectric body, ultrasound transducer, medical ultrasound diagnostic system, and nondestructive ultrasound test system KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2014-08-05 US disclosed
US-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2012-05-17 US disclosed
US-20120116228-A1 PIEZOELECTRIC BODY, ULTRASOUND TRANSDUCER, MEDICAL ULTRASOUND DIAGNOSTIC SYSTEM, AND NONDESTRUCTIVE ULTRASOUND TEST SYSTEM KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2012-05-10 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-6391535-B1 SUBLAYER CONTAINING AN INFRARED ABSORBING METHINE CYANINE DYE EXHIBITING AN ABSORPTION MAXIMUM AT A WAVELENGTH OF 700 TO 900 NM; EXHIBITING ANTIHALATION EFFECTS, SUPERIOR SHARPNESS AND WITH NO UNEVEN DENSITY DUE TO INTERFERENCE FRINGES KONICA CORPORATION (JP) 2002-05-21 US disclosed
US-6309564-B1 Optical filter comprising transparent support and filter layer containing dye and binder polymer FUJI PHOTO FILM CO., LTD. (JP) 2001-10-30 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 (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-20120121509-A1 VITAL FLUOROCHROME CONJUGATES AND METHODS OF USE CASP3, CASP7, CD47 KIF11 1884/4885KCNH2 1377/4885CYP3A4 2506/4885
US-11993556-B1 Peptoid-based inhibitors of the protein arginine methyltransferase (PRMT) family PRMT1, PRMT3, PRMT5 KIF11 3606/4885KCNH2 4831/4885CYP3A4 4074/4885

“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.